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
    2.4222   -0.0989    0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9975    0.1434    0.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5696    0.5870    1.4361 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0528   -0.1343   -0.6332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2970    0.0678   -0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9968   -0.9346    0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9276    1.3168   -0.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4347    2.3292   -0.9873 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9274    0.8288   -0.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4802   -0.9295   -0.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8851   -0.4823    0.9935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6026   -1.8880    0.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0762   -0.8054    0.2667 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