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
-0.9219 -0.7727 0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2769 0.0680 -0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1320 1.3777 -0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5655 -0.5415 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6135 -1.0593 -0.3516 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7935 -0.2976 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7892 -1.8127 -0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2055 -0.7718 1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 1.7716 0.0697 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9882 2.0383 -0.2088 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