Monomers

1-Cyanovinyl acetate

Identifiers

IUPAC name
1-cyanoethenyl acetate
InchI
InChI=1S/C5H5NO2/c1-4(3-6)8-5(2)7/h1H2,2H3
InchI Key
LFSHREXVLSTLFB-UHFFFAOYSA-N
SMILES
CC(=O)OC(=C)C#N
Canonical SMILES
CC(=O)OC(=C)C#N
Isomeric SMILES
CC(=O)OC(=C)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H5NO2
Heavy Atom Count
8
Molecular Weight
111.1
Exact Molecular Weight
111.032
Valence Electrons
42
Radical Electrons
0
tPSA
50.09
MolLogP
0.5868
H Bond Acceptors
3
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

 13 12  0  0  0  0  0  0  0  0999 V2000
    0.3871    1.7583    1.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3744    0.5303    0.8102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1346   -0.4159    1.1453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4159    0.3621   -0.2980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3662   -0.8297   -1.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1273   -0.9858   -2.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5168   -1.8810   -0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2461   -2.7446   -0.2801 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5278    1.8235    2.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3524    2.6355    0.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3190    1.8652    2.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0947   -1.9011   -2.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7986   -0.2167   -2.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  3  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  6 12  1  0
  6 13  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers