METHACRYLONITRILE

General Information

Mainterm	METHACRYLONITRILE
CAS Reg.No.(or other ID)	126-98-7
Regnum	175.320 177.1010 177.1630

From www.fda.gov

Computed Descriptors

2D Structure
CID	31368
IUPAC Name	2-methylprop-2-enenitrile
InChI	InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3
InChI Key	GYCMBHHDWRMZGG-UHFFFAOYSA-N
Canonical SMILES	CC(=C)C#N
Molecular Formula	C4H5N
Wikipedia	methacrylonitrile

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	67.091
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Complexity	83.1
CACTVS Substructure Key Fingerprint	A A A D c Y B i A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A H A A A A A A A D A C B A A A C A A A A A A C Q B g B C A A A g A A A A A A A A A A A A A A A A g A A A A Q A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	23.8
Monoisotopic Mass	67.042
Exact Mass	67.042
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	1

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Organic cyanides
Intermediate Tree Nodes	Not available
Direct Parent	Nitriles
Alternative Parents	Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.

From ClassyFire