Compound Identification
SMILES
CC1CN1C1=C(C)C(=O)C(N2CC2C)=C(Br)C1=O
InChIKey
InChIKey=YJWYZAHSQLBMHV-UHFFFAOYSA-N
Formula
C13H15BrN2O2
Mass
311.179
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
Quinones
-
Level 8
Benzoquinones
-
Level 9
P-benzoquinones
- Level 10 P-toluquinones
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Level 9
P-benzoquinones
-
Level 8
Benzoquinones
-
Level 7
Quinones
-
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 - Quinones - Benzoquinones - P-benzoquinones
Direct Parent
P-toluquinones
Alternative Parents
Vinylogous halides Vinylogous amides N-vinylaziridines Alpha-haloketones Trialkylamines Vinyl bromides Enamines Bromoalkenes Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
P-toluquinone - Alpha-haloketone - Vinylogous halide - Vinylogous amide - Vinylaziridine - N-vinylaziridine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Enamine - Vinyl bromide - Vinyl halide - Aziridine - Organoheterocyclic compound - Haloalkene - Bromoalkene - Organohalogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organobromide - Organonitrogen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-toluquinones. These are toluene with two ketone group attached to the benzene ring in a para-relationship.
External Descriptors
Not available