Summary

IMPPAT Phytochemical identifier: IMPHY015261

Phytochemical name: Pyrrole-2-carboxaldehyde

Synonymous chemical names:
2-formylpyrrole, pyrrole-2-carboxaldehyde

External chemical identifiers:
CID:13854, ChEMBL:CHEMBL2229658, ChEBI:59978, ZINC:ZINC000001069171, FDASRS:068TSM6S6P, SureChEMBL:SCHEMBL22163881, MolPort-000-142-353

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Chemical structure information

SMILES:
O=Cc1ccc[nH]1

InChI:
InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H

InChIKey:
ZSKGQVFRTSEPJT-UHFFFAOYSA-N

DeepSMILES:
O=Ccccc[nH]5

Functional groups:
cC=O, 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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Proline alkaloids

NP Classifier Class: Pyrrole alkaloids

NP-Likeness score: 0.175

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Chemical structure download