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
    2.3932   -1.1549    0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790   -0.1619    0.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5490    1.1798    0.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4767    2.0430    0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7852    1.5347    0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7678    2.3174    0.0718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340    0.2123   -0.0891 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0159   -0.5903   -0.0733 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3595   -0.2660   -0.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5377   -1.5648   -0.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0772   -1.9852    0.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5872   -1.5804   -0.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2898   -0.6622    0.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5772    1.5053    0.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6827    3.0958    0.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2332    0.3625   -0.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7008   -2.2690   -0.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5097   -2.0160   -0.5856 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