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
-1.2143 0.0473 -0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2345 0.1010 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9151 -1.0214 0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9281 1.3492 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4715 2.3684 0.3745 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4996 1.0658 -0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8042 -0.2139 0.7089 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4240 -0.6737 -1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4309 -1.9914 0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9619 -1.0314 0.5090 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