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
   -2.3804    1.0326   -0.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2699    0.1173   -0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5396   -1.1484    0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4739   -1.9669    0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7850   -1.4438    0.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7774   -2.1700    0.8003 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0389   -0.1942    0.1005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0101    0.5818   -0.1993 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3370    0.3343   -0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5409    1.5650   -0.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3643    0.5330   -0.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2770    1.3459   -1.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3150    1.9664    0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5480   -1.4875    0.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6797   -2.9670    0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1819   -0.2868    0.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5136    2.0136   -0.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6835    2.1748   -0.6880 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