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
   -2.2711    0.8592    0.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1191    0.0554    0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3099   -0.9338   -0.7314 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1823    0.3739    0.2842 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3463   -0.1970   -0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5386   -1.2405   -0.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5633    0.4338    0.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5286    0.9348    0.7926 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6068    1.5525   -0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9757    1.3959    1.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1022    0.1350    0.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371   -1.6184   -1.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6886   -1.7508   -1.2651 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