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
    0.8863   -0.1225   -2.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0641    0.1018   -1.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1309    0.4883   -1.1067 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6004   -0.1131    0.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1631    0.0949    1.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8678   -0.9008    1.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2293    1.3556    2.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2792    2.3883    2.5702 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3151   -0.3844   -3.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5769   -0.9813   -2.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5460    0.7503   -2.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4888   -0.8240    2.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8298   -1.8532    1.3376 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