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
-0.9145 0.7172 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1237 -0.1924 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2884 -0.2450 -0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -1.0266 1.2998 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3126 -1.6949 2.2489 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8248 0.7298 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5155 1.7653 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2593 0.4572 -1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0628 -0.8882 -0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4685 0.3778 -1.2847 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