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
-0.4263 -0.3176 -1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1882 0.0845 0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5572 0.1121 1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5765 0.4223 0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7006 0.6814 0.1650 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1689 0.4606 -1.8463 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0908 -1.3335 -1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5235 -0.3681 -0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1044 0.4039 2.2084 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5943 -0.1455 1.2664 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