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
    2.0220   -0.5293   -1.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9760   -0.0541   -0.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2996    0.6428    0.6422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3801   -0.3067   -0.4925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3086    0.1920    0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6572   -0.4923    1.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8803    1.4840    0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3498    2.5399   -0.0154 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9178    0.1181   -1.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2565   -1.5833   -1.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7297   -0.4886   -2.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3755   -0.0561    2.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2502   -1.4662    1.7258 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