Compound Identification
SMILES
SCOC1CCCCN(C2=CC=C(Br)C=C2)C1=O
InChIKey
InChIKey=ZLJDFWDENGRHIC-UHFFFAOYSA-N
Formula
C13H16BrNO2S
Mass
330.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
- Subclass Caprolactams
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Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Caprolactams
Intermediate Tree Nodes
Not available
Direct Parent
Caprolactams
Alternative Parents
Bromobenzenes Azepanes Aryl bromides Tertiary carboxylic acid amides Azacyclic compounds Alkylthiols Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Caprolactam - Azepane - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Alkylthiol - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as caprolactams. These are cyclic amides of caproic acid. Caproic acid is the carboxylic acid derived from hexane with the general formula C5H11COOH.
External Descriptors
Not available