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
    1.3744    0.0854    1.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4259   -0.0962    0.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5135    0.8643    0.6672 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2132   -0.8442   -0.5029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2420   -0.1659   -1.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4651    0.6314   -1.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0299   -1.0343   -0.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7911   -1.8685   -0.0964 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3518   -0.2185    1.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1187   -0.4787    2.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279    1.1571    1.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5429    1.3825   -2.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6726    0.5855   -1.5767 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