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
    2.4094   -0.3187    0.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9173   -0.5070    0.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3794   -1.5055    0.8483 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1330    0.4332   -0.2297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2106    0.4953   -0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0090   -0.4259    0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8052    1.6488   -1.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2594    2.5691   -1.5694 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6736    0.0773    1.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9335   -1.2794    0.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207    0.4141   -0.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0977   -0.2659   -0.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7852   -1.3353    0.5934 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