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
    2.7128   -0.4817    0.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8214    0.4437    0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4089    0.3108    0.2960 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3705    1.3576    0.6197 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7007    1.3449    0.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3368    0.2021    0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5489   -0.8759   -0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1593   -0.8183   -0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4436   -1.8577   -0.4441 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -0.2387    0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4837   -1.5035    0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2349    1.4752    0.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3025    2.2328    0.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4186    0.1829    0.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0473   -1.7741   -0.5203 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