Summary

IMPPAT Phytochemical identifier: IMPHY012128

Phytochemical name: 2-Pyrrolidinone

Synonymous chemical names:
2-pyrrolidinone, 2-pyrrolidinone*, pyrrolidone

External chemical identifiers:
CID:12025, ChEMBL:CHEMBL276849, ChEBI:36592, ZINC:ZINC000014684428, FDASRS:KKL5D39EOL, SureChEMBL:SCHEMBL2389, MolPort-003-928-391

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Chemical structure information

SMILES:
O=C1CCCN1

InChI:
InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)

InChIKey:
HNJBEVLQSNELDL-UHFFFAOYSA-N

DeepSMILES:
O=CCCCN5

Functional groups:
CNC(C)=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: Pyrrolidones

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Pyrrolidine alkaloids

NP-Likeness score: 0.048

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Chemical structure download