Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1(CN)C=C(C=N1)C(=O)OC(C)(C)C

InChIKey

InChIKey=TUAWCXHEZFHPTP-UHFFFAOYSA-N

Formula

C12H18N2O3

Mass

238.287

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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

Direct Parent

Beta-amino ketones

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Beta-aminoketone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amine - Primary aliphatic amine - Imine - Organonitrogen compound - Primary amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta-amino ketones. These are ketones containing a carboxylic acid, and an amine group attached to the beta carbon atom, relative to the C=O group.

External Descriptors

Not available

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