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
   -2.1729    1.4474   -0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1884    0.3486   -0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6101   -0.9429   -0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6971   -1.9424   -0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5984   -1.6493    0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4656   -2.5466    0.4164 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9421   -0.3316    0.2510 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0749    0.6271    0.0113 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737    0.0057    0.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6289    1.2557    0.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0105    1.3504    0.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6730    2.4138   -0.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5282    1.3809   -1.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6494   -1.1940   -0.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9832   -2.9861   -0.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9709   -0.7850    0.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9234    2.0349    0.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6349    1.5135    0.9341 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