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
-1.0125 -0.5211 0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2603 0.0143 -0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1959 1.1268 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5125 -0.6318 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5344 -1.1805 0.3213 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7890 0.2602 0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3157 -1.3565 -0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7885 -0.9288 1.4991 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7074 1.6841 -0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1098 1.5334 -1.1271 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