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
    2.6297   -1.0062   -0.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3995   -0.2200   -0.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.1509   -0.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3548    1.8563   -0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8224    1.1330    0.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8830    1.7876    0.3621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8877   -0.1864    0.1131 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2519   -0.8594   -0.1454 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0086   -1.0137    0.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0474   -0.5877    1.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3813   -0.3864   -1.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3157   -1.8497   -1.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0335   -1.4476    0.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4617    1.6502   -0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3278    2.9329   -0.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0006   -2.0675   -0.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1385    0.3860    1.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8678   -1.2725    1.1681 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