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
    1.1593   -0.9405    1.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1640   -0.2530    1.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8441    0.3504    1.4619 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3456   -0.2716   -0.3433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4992    0.3248   -1.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2636    1.5716   -1.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800   -0.4616   -1.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4403   -1.1125   -2.2012 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1855   -0.4846    2.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1889   -0.8865    1.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094   -1.9988    1.9717 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5778    2.0730   -1.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9033    2.0892   -2.3286 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