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
    2.3788    0.3908   -0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0173    0.0790    0.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7916   -0.3590    1.5550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0752    0.2729   -0.4203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3388   -0.0269    0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8796   -1.2229   -0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1065    0.9783    0.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7343    1.7847    1.3011 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9122    0.9241    0.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3185    1.1313   -0.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9306   -0.5088   -0.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8593   -1.4231    0.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552   -2.0204   -0.5455 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