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
-0.3872 -0.4491 -1.0827 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0283 0.1827 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8094 -0.4746 1.0428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4180 1.5134 0.5132 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7864 2.5931 0.7526 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3799 -0.3230 -1.8768 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5828 -1.5483 -0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3324 0.0401 -1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1512 -1.4736 0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1380 -0.0607 1.9807 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