Summary

IMPPAT Phytochemical identifier: IMPHY004522

Phytochemical name: N-Acetylpyrrole

Synonymous chemical names:
1-acetylpyrrole

External chemical identifiers:
CID:521947, SureChEMBL:SCHEMBL150348

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Chemical structure information

SMILES:
CC(=O)n1cccc1

InChI:
InChI=1S/C6H7NO/c1-6(8)7-4-2-3-5-7/h2-5H,1H3

InChIKey:
OMYOJDLCFAUIHN-UHFFFAOYSA-N

DeepSMILES:
CC=O)ncccc5

Functional groups:
cn(c)C(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc[nH]c1

Scaffold Graph/Node level:
C1CCNC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrroles

ClassyFire Subclass: Substituted pyrroles

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -0.346

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Chemical structure download