Summary

IMPPAT Phytochemical identifier: IMPHY012163

Phytochemical name: 2-Methyltetrahydrofuran-3-one

Synonymous chemical names:
2-methyltetra-hydrofuran-3-one, 2-methyltetrahydro-furan-3-one, 2-methyltetrahydrofuran-3-one

External chemical identifiers:
CID:18522, ChEMBL:CHEMBL3188615, ChEBI:173339, FDASRS:I3703CL967, SureChEMBL:SCHEMBL183398, MolPort-000-145-970

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Chemical structure information

SMILES:
O=C1CCOC1C

InChI:
InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3

InChIKey:
FCWYQRVIQDNGBI-UHFFFAOYSA-N

DeepSMILES:
O=CCCOC5C

Functional groups:
CC(C)=O, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCOC1

Scaffold Graph/Node level:
OC1CCOC1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dihydrofurans

ClassyFire Subclass: Furanones

NP-Likeness score: 1.025

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Chemical structure download