Summary

IMPPAT Phytochemical identifier: IMPHY001503

Phytochemical name: 3-Methylcyclopentanone

Synonymous chemical names:
3-methyl-cyclo-pentanone

External chemical identifiers:
CID:15650, FDASRS:N603804P52, SureChEMBL:SCHEMBL106510, MolPort-002-498-127

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Chemical structure information

SMILES:
CC1CCC(=O)C1

InChI:
InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3

InChIKey:
AOKRXIIIYJGNNU-UHFFFAOYSA-N

DeepSMILES:
CCCCC=O)C5

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC1

Scaffold Graph/Node level:
OC1CCCC1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 1.444

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Chemical structure download