Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCC(=O)C[C@@H]1CC(=O)C2CCCN12

InChIKey

InChIKey=IZNMOJCCYVRCIZ-BFHBGLAWSA-N

Formula

C13H19NO4

Mass

253.298

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolizidines

Subclass

Pyrrolizidinones

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrolizidinones

Alternative Parents

Gamma-keto acids and derivatives Fatty acid methyl esters Pyrrolidine-3-ones N-alkylpyrrolidines Beta-amino ketones Methyl esters Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Pyrrolizidinone - Gamma-keto acid - Fatty acid ester - Fatty acid methyl ester - Beta-aminoketone - Fatty acyl - N-alkylpyrrolidine - Keto acid - Pyrrolidone - 3-pyrrolidone - Methyl ester - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Ketone - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrolizidinones. These are compounds containing a pyrrolizidine moiety which bears a ketone. Pyrrolizidine is a bicyclic ring system made up of two fused pyrrolidine ring sharing a nitrogen atom.

External Descriptors

Not available

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