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Aliphatic and alicyclic building blocks

Pencolide

Also known as alpha-[(Z)-Ethylidene]-2,5-dihydro-3-methyl-2,5-dioxo-1H-pyrrole-1-acetic acid, 1H-Pyrrole-1-acetic acid, alpha-ethylidene-2,5-dihydro-3-methyl-2,5-dioxo-, (alphaZ)-, (Z)-2-(3-methyl-2,5-dioxo-pyrrol-1-yl)but-2-enoic acid

CAS 61464-52-6Formula C9H9NO4Molar mass 195.17 g/mol
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Pencolide chemical structure, C9H9NO4, CAS 61464-52-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
61464-52-6
Formula
C9H9NO4
Molar mass
195.17 g/mol
HS code
292519
Category
Aliphatic and alicyclic building blocks

What is Pencolide?

Plain description, key identifiers and synonyms

Pencolide is a chemical substance with the molecular formula C9H9NO4 and a molar mass of 195.17 g/mol. Its CAS registry number is 61464-52-6. The IUPAC name is (Z)-2-(3-methyl-2,5-dioxopyrrol-1-yl)but-2-enoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(Z)-2-(3-methyl-2,5-dioxopyrrol-1-yl)but-2-enoic acid
CAS number
61464-52-6
Molecular formula
C9H9NO4
UNII
1D24950547
InChIKey
NFDKQFGUQFNACT-UTCJRWHESA-N
InChI
InChI=1S/C9H9NO4/c1-3-6(9(13)14)10-7(11)4-5(2)8(10)12/h3-4H,1-2H3,(H,13,14)/b6-3-
Canonical SMILES
CC=C(C(=O)O)N1C(=O)C=C(C)C1=O
Isomeric SMILES
C/C=C(/C(=O)O)\N1C(=O)C=C(C1=O)C

Synonyms

  • alpha-[(Z)-Ethylidene]-2,5-dihydro-3-methyl-2,5-dioxo-1H-pyrrole-1-acetic acid
  • 1H-Pyrrole-1-acetic acid, alpha-ethylidene-2,5-dihydro-3-methyl-2,5-dioxo-, (alphaZ)-
  • (Z)-2-(3-methyl-2,5-dioxo-pyrrol-1-yl)but-2-enoic acid
  • 1H-Pyrrole-1-acetic acid, alpha-ethylidene-2,5-dihydro-3-methyl-2,5-dioxo-, (.alpha.z)-

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
195.17 g/molcalc.
Exact mass
195.0532 Dacalc.
LogP (octanol/water)
0.29calc.
Topological polar surface area
74.68 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
14calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.22calc.
Formal charge
0calc.
Stereocentres
0calc.
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=C1C=CC(=O)N1

O=C1C=CC(=O)N1

1 ring, 7 atoms, the Maleimide ring system.

636 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Pencolide suppliers

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Pencolide 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 Pencolide is traded under.

HS 2925.19Indicative HS code

Imides and their derivatives, salts thereof, other

World exports in 2024
$295M
+11.7% vs 2023, imports $348M
2019 to 2024
Top exporters
  1. China29.7%
  2. Japan22.7%
  3. United Kingdom10.0%
Top importers
  1. United States12.7%
  2. Brazil12.6%
  3. China10.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Pencolide?

Pencolide is a chemical substance with the molecular formula C9H9NO4 and a molar mass of 195.17 g/mol. Its CAS registry number is 61464-52-6. The IUPAC name is (Z)-2-(3-methyl-2,5-dioxopyrrol-1-yl)but-2-enoic acid.

What is the CAS number of Pencolide?

The CAS registry number of Pencolide is 61464-52-6.

What is the molecular formula and weight of Pencolide?

The molecular formula of Pencolide is C9H9NO4 and its molar mass is 195.17 g/mol.

What is Pencolide used for?

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

Is Pencolide hazardous?

No GHS hazard classification for Pencolide is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Pencolide?

Pencolide is usually classified under HS code 292519 (Imides and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pencolide?

Post a free request on CompoundList and suppliers of Pencolide will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Pencolide?

Suppliers quote Pencolide on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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

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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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