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
   -2.7458    0.3435    0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7890   -0.5475   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4357   -0.1516   -0.0138 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0449    1.0877    0.1933 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2474    1.4650    0.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2237    0.4874    0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8599   -0.8282   -0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5088   -1.1059   -0.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1392   -2.2999   -0.4100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4843    1.3915    0.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7951    0.0735    0.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0955   -1.5671   -0.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5619    2.4867    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2457    0.7654    0.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6036   -1.6006   -0.3603 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