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
   -2.2284   -0.8307   -0.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8447   -0.6402   -0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2419   -1.5493    0.6143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1834    0.5473   -0.2067 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1009    0.7795    0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1174    0.4888   -0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3855    1.3303    1.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6334    1.7673    2.5998 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5757    0.0911   -1.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2843   -1.6734   -1.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9450   -1.0233    0.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1527    0.6369   -0.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9136    0.0755   -1.5083 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