Compound Identification
SMILES
CCCN1CC(CC1=O)=NC1=C(C=CC=C1C)C#N
InChIKey
InChIKey=MKAHBFBYGWUURN-UHFFFAOYSA-N
Formula
C15H17N3O
Mass
255.321
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Toluenes Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Secondary ketimines Azomethines Lactams Propargyl-type 1,3-dipolar organic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Toluene - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Azomethine - Pyrrolidine - Secondary ketimine - Tertiary carboxylic acid amide - Carboxamide group - Ketimine - Lactam - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Imine - Organopnictogen compound - Carbonyl group - Cyanide - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available