Summary

IMPPAT Phytochemical identifier: IMPHY015343

Phytochemical name: 3-Methyl-2(5H)-furanone

Synonymous chemical names:
3-methyl 2-(5h)-furanone, 3-methyl-2(5h)-furanone

External chemical identifiers:
CID:30945, ZINC:ZINC000002015746, FDASRS:N9KXQ3851K, SureChEMBL:SCHEMBL908521, MolPort-003-931-705

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Chemical structure information

SMILES:
O=C1OCC=C1C

InChI:
InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3

InChIKey:
VGHBEMPMIVEGJP-UHFFFAOYSA-N

DeepSMILES:
O=COCC=C5C

Functional groups:
CC1=CCOC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCO1

Scaffold Graph/Node level:
OC1CCCO1

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: 2.876

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Chemical structure download