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
    2.4407    0.4560    0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0948   -0.1851   -0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044   -1.3799   -0.4597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0771    0.4835    0.1432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3615    0.0853    0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7623   -1.1013   -0.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3703    1.0843    0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1705    1.8706    0.6578 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1232   -0.2615    0.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.9041   -0.8386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2711    1.2946    0.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1467   -1.9320   -0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8534   -1.3185   -0.3656 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