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
   -0.4301    1.7646    1.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7409    0.5735    1.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070    0.0925    0.2817 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6179    0.8582   -0.4222 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1283    0.4288   -1.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8179   -0.8157   -2.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0398   -1.6283   -1.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5187   -1.1084   -0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3071   -1.8708    0.4589 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2435    2.3875    1.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8496    2.0831    2.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4029   -0.0900    2.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7918    1.1104   -2.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2268   -1.1615   -3.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3301   -2.6239   -1.7164 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