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
    2.4196   -0.1018    0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0238    0.3679   -0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7604    1.5689   -0.2383 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0244   -0.5655    0.0954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2927   -0.1394    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2309   -1.0570    0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6967    1.2185   -0.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0146    2.3159   -0.3640 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7460   -0.3265    1.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4822   -1.0359   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0758    0.6725   -0.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0135   -2.1094    0.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2838   -0.8083    0.1356 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