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
    0.8577    1.7932   -1.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4037    0.9584   -0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5469    1.3451    0.9368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1821   -0.2582   -0.4978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6413   -1.1152    0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1941   -2.0093    0.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9971   -1.0278    0.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -0.9704    1.3686 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1808    1.2047   -2.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6942    2.4532   -1.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0205    2.4027   -1.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1495   -2.6833    1.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2088   -2.0931    0.6240 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