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
-0.8429 -0.0810 -0.8927 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1942 0.1227 0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4124 -0.8767 0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9053 1.3606 0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4999 2.3557 0.2648 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3469 -0.5966 -1.7423 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6532 -0.6934 -0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 0.9202 -1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1171 -1.8035 0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1751 -0.7081 1.7482 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