Compound Identification
SMILES
O=C=NCC1CO1
InChIKey
InChIKey=WCPFORYMJHCRRY-UHFFFAOYSA-N
Formula
C4H5NO2
Mass
99.089
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
Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Epoxides Dialkyl ethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Isocyanate - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic 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