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
-1.0582 -0.5851 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2883 0.0266 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3802 1.2590 0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4275 -0.7431 -0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3627 -1.3532 -0.7045 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3903 -0.4253 -1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0574 -1.6524 0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7966 -0.0129 0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5055 1.7842 0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3493 1.7022 0.5118 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