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
    1.6405   -1.7060   -0.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6007   -0.7886    0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0578   -0.9621    1.3296 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2325    0.2877   -0.5964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7338    1.1309   -0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9951    0.8961   -0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3161    2.2449    0.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0396    3.1597    1.3186 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2940   -1.1655   -1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1696   -2.1360    0.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -2.5852   -0.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7866    1.5569    0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3657    0.0672   -0.9282 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