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
   -2.6321   -0.6640    0.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8540    0.3622    0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4572    0.1448    0.0295 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0502   -1.0760    0.1545 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3895   -1.3201    0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2508   -0.2744   -0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7012    0.9820   -0.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3431    1.2078   -0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1030    2.3770   -0.3423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2086   -1.6407    0.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6906   -0.4972    0.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2542    1.3701    0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7705   -2.3296    0.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3096   -0.4422   -0.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3847    1.8002   -0.5344 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