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
   -0.4922   -0.9623   -1.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0508   -0.6542   -0.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0648   -1.2393   -0.1530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5442    0.2879    0.2281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0763    0.6022    1.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8072    1.5651    1.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5026   -0.0661    2.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8475   -0.5833    3.6697 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4473   -2.0298   -2.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1058   -0.3644   -2.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5164   -0.5388   -1.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1736    2.1109    0.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2242    1.8721    2.5738 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