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
-0.8306 -0.7009 0.5168 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2533 0.0807 -0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0431 1.3482 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4867 -0.5744 -0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4832 -1.1186 -0.6467 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8352 -0.4106 0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6743 -1.7707 0.3401 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8816 -0.5294 1.6245 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9016 1.7852 -0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8572 1.8904 -0.8605 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