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
    2.4028   -0.3185   -0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0697   -0.0047    0.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9403    0.4044    1.5876 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0394   -0.1540   -0.3653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3268    0.1067    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2911   -0.1008   -0.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6548    0.5754    1.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9363    0.9667    2.3606 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350    0.4473   -0.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4715   -1.3339   -0.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793   -0.2298    0.6673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1080   -0.4514   -1.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3421    0.0925   -0.6239 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