Structure Information
Structure

Compound Identification

SMILES

NC1=CC(=O)C(CCC#N)(CCC#N)CC1

InChIKey

InChIKey=XMPZNLYSDZVNHC-UHFFFAOYSA-N

Formula

C12H15N3O

Mass

217.272

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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

Vinylogous amides Nitriles Enamines Organic oxides Monoalkylamines Hydrocarbon derivatives

Molecular Framework

Aliphatic homomonocyclic compounds

Substituents

Cyclohexenone - Vinylogous amide - Nitrile - Carbonitrile - Enamine - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic homomonocyclic 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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