Monomers

2-Vinylpyridazine-3(2H)-one

Identifiers

IUPAC name
2-ethenylpyridazin-3-one
InchI
InChI=1S/C6H6N2O/c1-2-8-6(9)4-3-5-7-8/h2-5H,1H2
InchI Key
YPRGCFKFJAQQFV-UHFFFAOYSA-N
SMILES
C=Cn1ncccc1=O
Canonical SMILES
C=CN1C(=O)C=CC=N1
Isomeric SMILES
C=CN1C(=O)C=CC=N1
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H6N2O
Heavy Atom Count
9
Molecular Weight
122.127
Exact Molecular Weight
122.048
Valence Electrons
46
Radical Electrons
0
tPSA
34.89
MolLogP
0.3438
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.7294    0.2820   -0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7629   -0.5899   -0.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4401   -0.2066   -0.1391 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1304    0.9934    0.3215 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0903    1.4097    0.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1727    0.5557    0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8892   -0.7019    0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6069   -1.0749   -0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3210   -2.2327   -0.7182 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5080    1.2688    0.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7548   -0.0186   -0.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9318   -1.5859   -0.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3110    2.4048    1.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1644    0.8937    0.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7019   -1.3975   -0.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  5 13  1  0
  6 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers