Summary

IMPPAT Phytochemical identifier: IMPHY016213

Phytochemical name: 1H-pyrrole

Synonymous chemical names:
1h-pyrrole

External chemical identifiers:
CID:12668434, SureChEMBL:SCHEMBL2383

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Chemical structure information

SMILES:
N1[C]=CC=C1

InChI:
InChI=1S/C4H4N/c1-2-4-5-3-1/h1-3,5H

InChIKey:
HPVLTCVIGICMSV-UHFFFAOYSA-N

DeepSMILES:
N[C]=CC=C5

Functional groups:
[c][nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
[c]1ccc[nH]1

Scaffold Graph/Node level:
[CH]1CCCN1

Scaffold Graph level:
[CH]1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.621

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Chemical structure download