Summary

IMPPAT Phytochemical identifier: IMPHY017422

Phytochemical name: 2-(1-Pentenyl)furan

Synonymous chemical names:
(e)-2-(1-pentenyl)-furan

External chemical identifiers:
CID:5369956, ZINC:ZINC000005819419, SureChEMBL:SCHEMBL4012073

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Chemical structure information

SMILES:
CCC/C=C/c1ccco1

InChI:
InChI=1S/C9H12O/c1-2-3-4-6-9-7-5-8-10-9/h4-8H,2-3H2,1H3/b6-4+

InChIKey:
LKSYSJTUBQSZBS-GQCTYLIASA-N

DeepSMILES:
CCC/C=C/cccco5

Functional groups:
c/C=C/C, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.091

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Chemical structure download