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
1.1082 0.1855 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1980 -0.0210 -0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0849 -0.8916 0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6065 0.9168 -1.2667 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8490 1.4946 -1.9715 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1240 0.9063 1.3606 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5954 -0.7494 0.7997 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7557 0.7303 -0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0374 -0.9548 -0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8075 -1.6168 1.0168 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