Monomers

2-Vinyl-6-phenylpyridazine-3(2H)-one

Identifiers

IUPAC name
2-ethenyl-6-phenylpyridazin-3-one
InchI
InChI=1S/C12H10N2O/c1-2-14-12(15)9-8-11(13-14)10-6-4-3-5-7-10/h2-9H,1H2
InchI Key
CBHACVBMFPXKKT-UHFFFAOYSA-N
SMILES
C=Cn1nc(ccc1=O)c1ccccc1
Canonical SMILES
C=CN1C(=O)C=CC(=N1)C2=CC=CC=C2
Isomeric SMILES
C=CN1C(=O)C=CC(=N1)C2=CC=CC=C2
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H10N2O
Heavy Atom Count
15
Molecular Weight
198.225
Exact Molecular Weight
198.0793
Valence Electrons
74
Radical Electrons
0
tPSA
34.89
MolLogP
2.0108
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
2

MOL File


     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
    4.0513    1.3464   -1.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966    1.3014   -1.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9461    0.3730   -1.2496 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8932    0.4410   -0.4074 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661   -0.3758   -0.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2166   -1.3763   -1.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8219   -1.5072   -2.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8791   -0.6020   -2.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8149   -0.7467   -2.9896 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2510   -0.1880    0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3546   -0.9827    0.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3788   -0.7947    1.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2846    0.2165    2.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1791    1.0316    2.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1770    0.8229    1.4926 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3454    0.7241   -2.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8091    2.1458   -1.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8906    2.0407   -0.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0669   -2.0622   -1.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8270   -2.2841   -3.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4983   -1.7908   -0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2512   -1.4315    1.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0672    0.3603    3.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0652    1.8534    3.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3187    1.4847    1.5106 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
  5 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  8  3  1  0
 15 10  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  6 19  1  0
  7 20  1  0
 11 21  1  0
 12 22  1  0
 13 23  1  0
 14 24  1  0
 15 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers