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
   -2.6305   -0.7696   -0.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8426    0.2670   -0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403    0.1253    0.1134 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1182   -1.0657    0.1813 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4175   -1.2808    0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2441   -0.1939    0.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6630    1.0526    0.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3195    1.2144    0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1823    2.3880    0.2363 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1692   -1.7503   -0.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6785   -0.6414   -0.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2662    1.2549   -0.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8726   -2.2613    0.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3072   -0.2896    0.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2674    1.9503    0.6899 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