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
    2.3955    0.2901   -0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662   -0.2971   -0.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9460   -1.4384   -0.8851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0497    0.4241   -0.0991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3522    0.0061   -0.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2944    0.8656    0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6466   -1.2609   -0.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8880   -2.3014   -1.2889 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1277    0.0479   -0.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3677    1.4056   -0.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517   -0.1358    0.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3259    0.5559   -0.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0980    1.8383    0.4834 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