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
    0.9971   -2.1566    0.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150   -0.7489    0.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2603    0.1566    0.9738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4537   -0.3029   -0.4136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6798    1.0565   -0.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5159    1.5020    0.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1398    1.9846   -1.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2883    2.7537   -2.0906 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9131   -2.2385    1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1571   -2.6960   -0.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2003   -2.6425    1.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117    0.7978    1.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7304    2.5339    0.5519 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