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
1.0087 0.0202 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2215 -0.0408 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1922 0.1493 1.3458 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5309 -0.3347 -0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5122 -0.5734 -1.1026 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0514 -0.6692 -1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0361 1.0662 -1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8581 -0.0682 -0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1422 0.0828 1.8514 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6447 0.3678 1.9775 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