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
   -2.7102   -1.1590    0.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4710   -0.3598    0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5557    0.8307   -0.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4444    1.5752   -0.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7998    1.1020   -0.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    1.7958   -0.7359 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8610   -0.0533    0.1979 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2673   -0.7674    0.4666 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0943   -0.5913    0.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2524   -0.2426    0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0669   -1.6799   -0.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5016   -0.5395    0.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4383   -1.9212    1.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5522    1.1387   -0.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5180    2.5100   -1.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0349   -1.3912    1.4004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5079    0.4992   -0.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1441   -0.7462    0.6634 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