Summary

IMPPAT Phytochemical identifier: IMPHY007216

Phytochemical name: Pyrrole

Synonymous chemical names:
monopyrrole, pyrrole

External chemical identifiers:
CID:8027, ChEMBL:CHEMBL16225, ChEBI:19203, ZINC:ZINC000001691362, FDASRS:86S1ZD6L2C, SureChEMBL:SCHEMBL292, MolPort-001-766-665

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Chemical structure information

SMILES:
c1ccc[nH]1

InChI:
InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H

InChIKey:
KAESVJOAVNADME-UHFFFAOYSA-N

DeepSMILES:
cccc[nH]5

Functional groups:
c[nH]c

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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: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Proline alkaloids

NP-Likeness score: -0.132

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Chemical structure download