Summary

IMPPAT Phytochemical identifier: IMPHY015221

Phytochemical name: 2(3H)-Furanone

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

External chemical identifiers:
CID:140765, ChEBI:38120, FDASRS:F666POB3G4, SureChEMBL:SCHEMBL19873

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Chemical structure information

SMILES:
O=C1CC=CO1

InChI:
InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1,3H,2H2

InChIKey:
RHDGNLCLDBVESU-UHFFFAOYSA-N

DeepSMILES:
O=CCC=CO5

Functional groups:
O=C1CC=CO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC=CO1

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: 1.875

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Chemical structure download