Compound Identification
SMILES
CCNCCN1CCCC2=C(C(C)=CN2)C1=O
InChIKey
InChIKey=XNSVTCFRQDOFQR-UHFFFAOYSA-N
Formula
C13H21N3O
Mass
235.331
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrroloazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroloazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrroloazepines
Alternative Parents
Azepines Substituted pyrroles Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Lactams Amino acids and derivatives Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloazepine - Azepine - Substituted pyrrole - Pyrrole - Tertiary carboxylic acid amide - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Lactam - Carboxamide group - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic 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