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
-1.1436 -0.0779 0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2719 -0.0185 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5537 0.2633 -1.2418 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3291 -0.2658 0.9557 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1691 -0.4704 1.7268 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7969 -0.5945 -0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2183 -0.5980 1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4809 0.9799 0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5537 0.3248 -1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2376 0.4570 -1.9787 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