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
    0.3616    0.3612    2.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1129   -0.2260    1.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8366   -1.2333    1.0049 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3017    0.4209   -0.0886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0567   -0.0058   -1.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3742    0.6574   -2.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8927   -1.1680   -1.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5580   -2.1111   -1.5311 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3536    0.7991    2.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3807    1.1293    2.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3748   -0.4377    3.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9991    1.5210   -2.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0725    0.2929   -3.3738 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