Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)\C=C1/[C@@H]2CCC(=O)N2CCC[C@@H]1O

InChIKey

InChIKey=HTWOEJWFLGCDSE-WRSFFWLLSA-N

Formula

C13H19NO4

Mass

253.298

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroloazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyrroloazepines

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Pyrroloazepine - Azepane - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Alcohol - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Amine - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrroloazepines. These are compounds containing a pyrroloazepine moiety, which is a bicyclic heterocycle which consists of a pyrrole ring fused to an azepine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Azepine is a 7-membered ring consisting of six carbon and one nitrogen atom.

External Descriptors

Not available

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