Structure Information
Structure

Compound Identification

SMILES

O=C1[C@H]2CC=C(C#N)[C@@H]1[C@@H]1CCC[C@H]21

InChIKey

InChIKey=VUUGSRGLPWDGHI-ZRUFSTJUSA-N

Formula

C12H13NO

Mass

187.242

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones

Direct Parent

Cyclohexenones

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Cyclohexenone - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.

External Descriptors

Not available

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