Summary

IMPPAT Phytochemical identifier: IMPHY003544

Phytochemical name: 2-Oxopyrrolidine-1-carboxamide

Synonymous chemical names:
squamolone

External chemical identifiers:
CID:326996, ChEMBL:CHEMBL506960, ChEBI:173482, ZINC:ZINC000004087886, SureChEMBL:SCHEMBL1051735, MolPort-001-992-125

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Chemical structure information

SMILES:
NC(=O)N1CCCC1=O

InChI:
InChI=1S/C5H8N2O2/c6-5(9)7-3-1-2-4(7)8/h1-3H2,(H2,6,9)

InChIKey:
XYVMBSCIEDOIJQ-UHFFFAOYSA-N

DeepSMILES:
NC=O)NCCCC5=O

Functional groups:
CC(=O)N(C)C(N)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCN1

Scaffold Graph/Node level:
OC1CCCN1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolidines

ClassyFire Subclass: Pyrrolidine carboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Pyrrolidine alkaloids

NP-Likeness score: -0.573

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Chemical structure download