Summary

IMPPAT Phytochemical identifier: IMPHY007133

Phytochemical name: alpha-Methylene-gamma-butyrolactone

Synonymous chemical names:
alpha-methylene-gamma-butyrolactone, alpha-methylenebutyrolactone

External chemical identifiers:
CID:68352, ChEMBL:CHEMBL275748, ChEBI:104120, ZINC:ZINC000001740871, FDASRS:362Y256BOL, SureChEMBL:SCHEMBL41024, MolPort-001-793-008

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Chemical structure information

SMILES:
C=C1CCOC1=O

InChI:
InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2

InChIKey:
GSLDEZOOOSBFGP-UHFFFAOYSA-N

DeepSMILES:
C=CCCOC5=O

Functional groups:
C=C1CCOC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCOC1=O

Scaffold Graph/Node level:
CC1CCOC1O

Scaffold Graph level:
CC1CCCC1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Gamma butyrolactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 1.291

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Chemical structure download