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
1.0718 -0.6504 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2282 0.0665 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4735 1.0696 0.7396 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2455 -0.3042 -1.0176 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0681 -0.5871 -1.7922 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5709 -0.5304 0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8234 -1.7416 -0.1304 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6720 -0.2965 -0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2748 1.3620 1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3977 1.6121 0.7194 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