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
   -2.0599   -1.0519    0.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6610   -0.6772    0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2595   -1.5292    0.3110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3264    0.6218    0.0211 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9847    0.8985   -0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3652    0.8163   -1.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9102    1.2730    0.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6694    1.5827    1.5150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1347   -2.1547    0.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3139   -0.7024    1.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7950   -0.6548    0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3915    1.0378   -1.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7105    0.5401   -2.4011 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