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
    2.1369    0.2604    1.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8410    0.5399    0.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4614    1.7074    0.1714 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0678   -0.4817   -0.1060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1087   -0.4888   -0.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7838    0.5525   -1.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6675   -1.7920   -1.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -2.8301   -1.3755 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7884    1.1579    1.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9283   -0.0352    2.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6116   -0.5772    0.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7360    0.4407   -1.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4436    1.5461   -0.9022 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