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
-0.4980 0.4964 -0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1439 -0.1703 0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0879 0.2748 1.3765 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0131 -1.2963 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7172 -2.1975 -0.2488 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3472 -0.1247 -1.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8530 1.5186 -0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2704 0.5975 -1.8159 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3822 -0.2138 2.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7408 1.1153 1.4970 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