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
    2.7674   -0.4167    0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8328    0.4847    0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4320    0.1628    0.0401 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0234   -1.0802   -0.1465 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2814   -1.4003   -0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2683   -0.4403   -0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8539    0.8629    0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5036    1.1237    0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1025    2.2977    0.3095 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5169   -1.4628   -0.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8119   -0.1545    0.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1079    1.5186    0.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5520   -2.4360   -0.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3212   -0.7146   -0.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6095    1.6550    0.1182 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