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Heterocyclic building blocks

Cyclopentobarbital

Also known as 5-Allyl-5-(2-cyclopenten-1-yl)barbituric acid, cyclopentenylallylbarbituric acid, Allylpental

CAS 76-68-6Formula C12H14N2O3Molar mass 234.26 g/molEC 200-979-6
GHS signal word: Danger. Pictograms: Acute toxicity (severe)
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Cyclopentobarbital chemical structure, C12H14N2O3, CAS 76-68-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
76-68-6
Formula
C12H14N2O3
Molar mass
234.26 g/mol
EC number
200-979-6
HS code
293359
Category
Heterocyclic building blocks

What is Cyclopentobarbital?

Plain description, key identifiers and synonyms

Cyclopentobarbital is a member of barbiturates.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-cyclopent-2-en-1-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CAS number
76-68-6 CAS number cross-checked
EC number
200-979-6
Molecular formula
C12H14N2O3
UNII
2230XWG55Q
InChIKey
XOVJAYNMQDTIJD-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N2O3/c1-2-7-12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h2-3,5,8H,1,4,6-7H2,(H2,13,14,15,16,17)
SMILES (canonical and isomeric)
C=CCC1(C(=O)NC(=O)NC1=O)C2CCC=C2

Synonyms

  • 5-Allyl-5-(2-cyclopenten-1-yl)barbituric acid
  • cyclopentenylallylbarbituric acid
  • Allylpental
  • Cyclopental
  • Cyclopal
  • Cyclopen
  • Dormisan
  • Allylcyclopentenylbarbital
  • Ciclopal
  • Cyclopentenyl allylbarbituric acid
  • 5-Allyl-5-(2-cyclopentenyl)barbituric acid
  • Barbituric acid, 5-allyl-5-(2-cyclopentenyl)-
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-cyclopenten-1-yl)-5-(2-propenyl)-
  • 5-(2-Cyclopenten-1-yl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • Cyclopentobarbital (1.0mg/ml in Acetonitrile)
  • Cyclopentobarbitone
  • 5-cyclopent-2-en-1-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
  • 5-24-09-00269 (Beilstein Handbook Reference)
  • 5-(Cyclopent-2-en-1-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
  • Cyclopentobarbital (1 mg/ml in Acetonitrile)
  • 5-Allyl-5-(2-cyclopenten-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione #
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-cyclopenten-1-yl)-5-(2-propen-1-yl)-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
234.26 g/molcalc.
Exact mass
234.1004 Dacalc.
LogP (octanol/water)
0.88calc.
Topological polar surface area
75.27 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.42calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1NC(=O)C(C2C=CCC2)C(=O)N1

O=C1NC(=O)C(C2C=CCC2)C(=O)N1

2 rings, 14 atoms.

12 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H301Toxic if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Cyclopentobarbital suppliers

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Cyclopentobarbital price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Cyclopentobarbital is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Cyclopentobarbital is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cyclopentobarbital, based on the data on this page

What is Cyclopentobarbital?

Cyclopentobarbital is a member of barbiturates.

What is the CAS number of Cyclopentobarbital?

The CAS registry number of Cyclopentobarbital is 76-68-6.

What is the molecular formula and weight of Cyclopentobarbital?

The molecular formula of Cyclopentobarbital is C12H14N2O3 and its molar mass is 234.26 g/mol.

What is Cyclopentobarbital used for?

Known uses and roles of Cyclopentobarbital include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Cyclopentobarbital hazardous?

Cyclopentobarbital carries the GHS signal word "Danger". Main hazards: toxic if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Cyclopentobarbital?

Cyclopentobarbital is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cyclopentobarbital?

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What is the price of Cyclopentobarbital?

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Guides for buyers

Practical guides that help when you source, ship or handle Cyclopentobarbital

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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