2,5-Dimethyl-3-acetylpyrrole

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H11NO
Molecular Weight	137.179
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,5-Dimethyl-3-acetylpyrrole

Structure Search

SMILES

CC(=O)C1=C(C)NC(C)=C1

InChI

InChIKey=PSUPUISQTBAWLO-UHFFFAOYSA-N

InChI=1S/C8H11NO/c1-5-4-8(7(3)10)6(2)9-5/h4,9H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C8H11NO
Molecular Weight	137.179
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:13:20 GMT 2025` Edited by `admin` on `Wed Apr 02 12:13:20 GMT 2025`
Record UNII	6V85WMV4MH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-40231

Preferred Name

English

2,5-Dimethyl-3-acetylpyrrole

Systematic Name

English

3-Acetyl-2,5-dimethylpyrrole

Systematic Name

English

3-Acetyl-2,5-dimethyl-1H-pyrrole

Systematic Name

English

KETONE, 2,5-DIMETHYLPYRROL-3-YL METHYL

Systematic Name

English

1-(2,4-DIMETHYL-1H-PYRROL-3-YL)ETHANONE

Systematic Name

English

Code System Code Type Description

FDA UNII

6V85WMV4MH

Created by admin on Wed Apr 02 12:13:20 GMT 2025 , Edited by admin on Wed Apr 02 12:13:20 GMT 2025

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EPA CompTox

DTXSID00933849

Created by admin on Wed Apr 02 12:13:20 GMT 2025 , Edited by admin on Wed Apr 02 12:13:20 GMT 2025

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PUBCHEM

237027

Created by admin on Wed Apr 02 12:13:20 GMT 2025 , Edited by admin on Wed Apr 02 12:13:20 GMT 2025

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CAS

1500-94-3

Created by admin on Wed Apr 02 12:13:20 GMT 2025 , Edited by admin on Wed Apr 02 12:13:20 GMT 2025

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NSC

40231

Created by admin on Wed Apr 02 12:13:20 GMT 2025 , Edited by admin on Wed Apr 02 12:13:20 GMT 2025

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