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
   -2.4613   -0.1472    0.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0766    0.2424   -0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9154    1.1789   -0.9458 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0225   -0.4099    0.3303 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3335   -0.2158    0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8529    0.6736   -0.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2742   -1.1000    0.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0297   -1.7827    1.2456 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8871   -0.9306   -0.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0557    0.7904    0.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3339   -0.4488    1.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.7515   -0.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2879    1.3981   -1.3354 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