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
   -3.2583    0.4890    1.8346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4722    0.1025    0.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3679   -0.1325   -0.2503 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1233    0.0357    0.2010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0487   -0.1766   -0.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2561   -0.5785   -1.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5541   -0.7633   -2.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6217   -0.5298   -1.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8156   -0.6720   -1.8914 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2997    0.0166   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351   -0.1867   -0.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6947    0.0166   -0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8608    0.4232    1.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7132    0.6234    1.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708    0.4293    1.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2701    0.6420    2.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0895    0.6827    2.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4802   -0.0241    0.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5324   -0.7775   -2.5637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7281   -1.0814   -3.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3495   -0.5087   -1.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5703   -0.1491   -0.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7933    0.5924    1.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7904    0.9440    2.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5755    0.5830    1.8483 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