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
-0.2220 1.2342 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1422 -0.2054 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7849 -1.1546 -0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4930 -0.5778 0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5871 -0.8918 0.5020 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7054 1.7810 -0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0387 1.3307 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5154 1.5870 0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8152 -0.8975 -0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5514 -2.2057 -0.0566 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