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
-0.4581 -1.1508 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1868 0.1861 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5111 1.2705 0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5928 0.3192 -0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7294 0.4066 -0.4908 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2749 -1.9679 0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9900 -1.2812 -1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2148 -1.2738 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0391 2.2405 0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5708 1.2508 0.4910 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