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
   -2.2035   -0.6925   -1.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1975   -0.0637   -0.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5635    1.0295    0.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6840    1.6675    1.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5987    1.1494    1.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4754    1.6556    1.9066 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    0.0798    0.4204 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0656   -0.4940   -0.3851 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2850   -0.4190    0.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6073   -1.4689   -0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9805   -1.2056   -0.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6338    0.0947   -2.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6905   -1.4855   -1.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5739    1.3924    0.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9570    2.5170    1.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9907    0.0619    1.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9059   -1.9496   -0.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6013   -1.8692   -0.1732 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