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
    4.3659    0.4182    1.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0685    0.3898    1.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1977    0.0886    0.0155 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    0.1313    0.2677 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0712   -0.1280   -0.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3447   -0.4572   -1.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6823   -0.5190   -2.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5916   -0.2351   -1.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8377   -0.2853   -1.4997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4844   -0.0466   -0.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4762   -0.3054   -1.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8044   -0.2260   -0.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0756    0.1173    0.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0874    0.3799    1.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7876    0.2996    1.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9831    0.2111    0.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8786    0.6787    2.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6016    0.6441    2.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4239   -0.6716   -2.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138   -0.7729   -3.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2582   -0.5805   -2.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5704   -0.4364   -1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1397    0.1724    0.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3356    0.6424    2.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9540    0.4907    1.7429 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