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
    2.3783    0.0726   -0.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0271    0.1467    0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8939    0.4324    1.3000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1294   -0.0856   -0.6384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3813   -0.0101   -0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8934   -1.0830    0.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1362    1.2084   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7670    2.1880    0.0344 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4477   -0.7050   -1.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6099    1.0319   -1.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1580   -0.1387    0.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3513   -2.0046    0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8565   -1.0530    0.9495 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