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
    2.4090    0.0078   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9733   -0.3113   -0.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5549   -1.3340   -0.8859 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0193    0.5525    0.2439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3326    0.3422    0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9359   -0.3521    1.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0429    0.8706   -0.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6068    1.2987   -1.9165 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0401   -0.5789   -0.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6391    1.0681   -0.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7064   -0.3054    0.9299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4037   -0.7520    1.9394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0203   -0.5063    0.9767 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