Monomers

2-Ethenyl-6-methylpyridazin-3(2H)-one

Identifiers

IUPAC name
2-ethenyl-6-methylpyridazin-3-one
InchI
InChI=1S/C7H8N2O/c1-3-9-7(10)5-4-6(2)8-9/h3-5H,1H2,2H3
InchI Key
XDGWZXLOJQQYPH-UHFFFAOYSA-N
SMILES
Cc1ccc(=O)n(n1)C=C
Canonical SMILES
CC1=NN(C(=O)C=C1)C=C
Isomeric SMILES
CC1=NN(C(=O)C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H8N2O
Heavy Atom Count
10
Molecular Weight
136.154
Exact Molecular Weight
136.0637
Valence Electrons
52
Radical Electrons
0
tPSA
34.89
MolLogP
0.6522
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

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.3534    1.1815   -0.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2611    0.2028   -0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5515   -1.1495   -0.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5240   -2.0300   -0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7196   -1.5137    0.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6786   -2.3036    0.4088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0065   -0.1997    0.2137 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0108    0.6248   -0.0178 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3184    0.2561    0.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6062    1.5369    0.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8546    1.3719    0.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    0.7378   -1.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9659    2.1116   -0.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5595   -1.4677   -0.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7235   -3.1087   -0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0967   -0.4562    0.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8522    2.3052    0.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    1.9003    0.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  3
  8  2  2  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers