Summary

IMPPAT Phytochemical identifier: IMPHY017115

Phytochemical name: 2,3,5,5-Tetramethyl-4-methylene-2-cyclopenten-1-one

Synonymous chemical names:
2,3,5,5-tetramethyl-4-methylene-2-cyclopenten-1-one

External chemical identifiers:
CID:14809989

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Chemical structure information

SMILES:
CC1=C(C)C(=O)C(C1)(C)C

InChI:
InChI=1S/C9H14O/c1-6-5-9(3,4)8(10)7(6)2/h5H2,1-4H3

InChIKey:
FYDYTXLWBFWFBW-UHFFFAOYSA-N

DeepSMILES:
CC=CC)C=O)CC5)C)C

Functional groups:
CC1=C(C)C(=O)CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCC1

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: Apocarotenoids

NP Classifier Class: Apocarotenoids(ε-)

NP-Likeness score: 1.572

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Chemical structure download