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
    1.6968   -1.7917   -0.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8347   -0.6343   -0.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0494    0.0958   -1.4135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2314   -0.2526    0.4137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.8761    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0209    1.2253    0.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7256    1.6639   -1.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934    2.3176   -2.0279 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902   -1.4448    0.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1861   -2.6198    0.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0386   -2.1968   -1.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    0.6749    1.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6287    2.0864    0.6320 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