Compound Identification
SMILES
CC1=CC(=O)C(C=C1)=C1NCCCCN1
InChIKey
InChIKey=YTUSIBHMZNETGJ-UHFFFAOYSA-N
Formula
C12H16N2O
Mass
204.273
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 O-quinomethanes
-
Level 7
Quinomethanes
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones - Quinomethanes
Direct Parent
O-quinomethanes
Alternative Parents
1,3-diazepanes Vinylogous amides Ketene acetals Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
O-quinomethane - Diazepane - 1,3-diazepane - Vinylogous amide - Ketene acetal or derivatives - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available