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
   -0.8817   -0.5937   -1.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0676   -0.3719   -0.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0855   -0.9251   -0.5827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5602    0.4168    0.3635 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.6250    1.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1488   -0.2724    2.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1251    1.7196    1.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8951    2.6747    1.6632 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9412   -0.3944   -1.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7654   -1.6372   -2.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4937    0.0980   -2.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5234   -1.0916    2.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7121   -0.2479    3.3825 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