Summary

IMPPAT Phytochemical identifier: IMPHY016377

Phytochemical name: 3-Methyl-2-(2-oxopropyl)furan

Synonymous chemical names:
3-methyl-2-(2-oxopropyl)furan

External chemical identifiers:
CID:545772, SureChEMBL:SCHEMBL21858123

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Chemical structure information

SMILES:
CC(=O)Cc1occc1C

InChI:
InChI=1S/C8H10O2/c1-6-3-4-10-8(6)5-7(2)9/h3-4H,5H2,1-2H3

InChIKey:
XVFFSHOUXDIMLE-UHFFFAOYSA-N

DeepSMILES:
CC=O)Ccoccc5C

Functional groups:
CC(C)=O, 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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 0.641

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Chemical structure download