Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(C#N)=C1CC1

InChIKey

InChIKey=JGQLGUQYHDKDSV-UHFFFAOYSA-N

Formula

C7H7NO2

Mass

137.138

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Carboxylic acid derivatives

Intermediate Tree Nodes

Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters

Direct Parent

Enoate esters

Alternative Parents

Molecular Framework

Aliphatic homomonocyclic compounds

Substituents

Enoate ester - Methyl ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.

External Descriptors

Not available

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