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
    2.3883   -0.1700   -0.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0471    0.0435   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9928    0.6051    0.9493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365   -0.3269   -0.7638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3846   -0.1236   -0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0835    0.9796   -0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9425   -1.1384    0.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3944   -1.9680    1.3148 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0289   -0.6750   -0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3355   -0.8648   -1.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8465    0.7613   -1.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0579    1.1487    0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6398    1.7286   -1.0528 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