Monomers
Methacrylonitrile
Identifiers
IUPAC name
2-methylprop-2-enenitrile
InchI
InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3
InchI Key
GYCMBHHDWRMZGG-UHFFFAOYSA-N
SMILES
CC(=C)C#N
Canonical SMILES
CC(=C)C#N
Isomeric SMILES
CC(=C)C#N
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H5N
Heavy Atom Count
5
Molecular Weight
67.091
Exact Molecular Weight
67.0422
Valence Electrons
26
Radical Electrons
0
tPSA
23.79
MolLogP
1.0861
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
10 9 0 0 0 0 0 0 0 0999 V2000
-0.8641 -0.0665 0.9031 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1287 0.0844 -0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0609 -0.7642 -0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0551 1.1936 -1.1524 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2209 2.0701 -1.8876 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7834 0.4298 0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9569 -1.0939 1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3733 0.5296 1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2161 -1.6473 0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8480 -0.7356 -1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 3 0
1 6 1 0
1 7 1 0
1 8 1 0
3 9 1 0
3 10 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers