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
    2.0691   -1.2882   -0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8201   -0.6173    0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3120   -0.8915    1.4045 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1488    0.3254   -0.4726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0349    0.9237    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2149    0.4247   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9304    2.1396    0.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8630    3.1253    1.4011 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2033   -1.2360   -1.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -2.3767    0.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9590   -0.9635    0.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3222   -0.4767   -0.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0845    0.9110    0.1713 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