Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=IPCFNMNFKCSYJG-UHFFFAOYSA-N

Formula

C8H11NO2

Mass

153.181

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

1,3-dicarbonyl compounds

Direct Parent

Beta-diketones

Alternative Parents

Ketones Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aliphatic acyclic compounds

Substituents

1,3-diketone - Ketone - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom.

External Descriptors

Not available

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