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
    3.3045    1.7717    0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4725    0.6401   -0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448   -0.1672   -0.5743 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1137    0.2049   -0.2029 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0211   -0.5471   -0.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2056   -1.7272   -1.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4716   -2.1555   -1.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5322   -1.3411   -1.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7267   -1.6304   -1.5608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2888   -0.0601   -0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3929    1.1494    0.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6167    1.6169    1.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7812    0.9048    0.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6878   -0.2798    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4585   -0.7425   -0.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1342    2.4316    0.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    2.0941    0.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4537    0.3389   -0.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6460   -2.3586   -1.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6452   -3.0744   -2.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4783    1.7014    0.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6941    2.5680    1.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7535    1.2613    1.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5673   -0.9053   -0.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3962   -1.6941   -0.7569 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