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
   -2.3660   -0.0293   -0.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0341    0.0775    0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8848    0.2371    1.5895 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0728   -0.0026   -0.4925 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3530    0.0918    0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9737   -1.0097    0.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    1.3500    0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6033    2.3660    0.3098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1493    0.2802    0.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4977    0.6576   -1.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5922   -1.0514   -0.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9715   -0.9830    0.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5117   -1.9843    0.3427 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