Summary

IMPPAT Phytochemical identifier: IMPHY015407

Phytochemical name: 5-Ethyl-2(5H)-furanone

Synonymous chemical names:
5-ethyl-2(5h)-furanone

External chemical identifiers:
CID:16997, FDASRS:285X4S123E, SureChEMBL:SCHEMBL981332, MolPort-006-114-287

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Chemical structure information

SMILES:
CCC1OC(=O)C=C1

InChI:
InChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h3-5H,2H2,1H3

InChIKey:
GOUILHYTHSOMQJ-UHFFFAOYSA-N

DeepSMILES:
CCCOC=O)C=C5

Functional groups:
O=C1C=CCO1

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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: 2.85

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Chemical structure download