Compound Identification
SMILES
COC1=CC=C(C(C2CCN(C)C2=O)C1Br)[N+]([O-])=O
InChIKey
InChIKey=KFUZTJUOLLXOFW-UHFFFAOYSA-N
Formula
C12H15BrN2O4
Mass
331.166
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass N-alkylpyrrolidines
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Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
N-alkylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
N-alkylpyrrolidines
Alternative Parents
Pyrrolidine-2-ones Tertiary carboxylic acid amides Lactams C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organic oxygen compound - Organohalogen compound - Alkyl halide - Alkyl bromide - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-alkylpyrrolidines. These are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available