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
-0.8300 -0.2036 -0.8671 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2374 -0.0483 0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1674 0.9768 0.9618 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3287 -0.9727 0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2152 -1.7245 0.3155 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8213 -1.2502 -1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8546 -0.0789 -0.4326 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7489 0.4830 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6248 1.7055 0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9308 1.1130 1.7045 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