Summary

IMPPAT Phytochemical identifier: IMPHY003375

Phytochemical name: 5-Methoxypyrrolidin-2-one

Synonymous chemical names:
pterolactam

External chemical identifiers:
CID:181561, ChEBI:173415, SureChEMBL:SCHEMBL441623, MolPort-003-848-656

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Chemical structure information

SMILES:
COC1CCC(=O)N1

InChI:
InChI=1S/C5H9NO2/c1-8-5-3-2-4(7)6-5/h5H,2-3H2,1H3,(H,6,7)

InChIKey:
VULIHENHKGDFAB-UHFFFAOYSA-N

DeepSMILES:
COCCCC=O)N5

Functional groups:
COC1CCC(=O)N1

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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: 1.467

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Chemical structure download