Compound Identification
SMILES
C[C@@]1(C[C@H]2[C@H]1CC(C)(C)CC2=O)N=C=O
InChIKey
InChIKey=UNOQXFHBQBVPRQ-SBMIAAHKSA-N
Formula
C12H17NO2
Mass
207.273
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
- Subclass Isocyanates
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Isocyanates
Intermediate Tree Nodes
Not available
Direct Parent
Isocyanates
Alternative Parents
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ketone - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocyanates. These are organic compounds containing the isocyanic acid tautomer, HN=C=O, of cyanic acid, HOC#N or its hydrocarbyl derivatives RN=C=O.
External Descriptors
Not available