Summary

IMPPAT Phytochemical identifier: IMPHY015421

Phytochemical name: 5-pentyl-3H-furan-2-one

Synonymous chemical names:
5-pentyl-3h-furan-2-one

External chemical identifiers:
CID:10725569, FDASRS:MDN0631PBW, SureChEMBL:SCHEMBL704205

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Chemical structure information

SMILES:
CCCCCC1=CCC(=O)O1

InChI:
InChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h6H,2-5,7H2,1H3

InChIKey:
PGAMJXWVUGDLRA-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=CCC=O)O5

Functional groups:
CC1=CCC(=O)O1

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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 Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 1.353

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Chemical structure download