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
   -2.2420   -0.7918    0.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0283   -0.0708    0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2155    1.1213   -0.3674 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2347   -0.5860   -0.0224 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047    0.1939   -0.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5380   -0.2597   -0.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0831    1.5444   -0.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9015    2.6390   -1.2371 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125   -0.0961    0.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0095   -1.6679    1.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7700   -1.1319   -0.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3319    0.3683   -0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7838   -1.2625   -0.2084 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