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
   -2.8700   -0.7605    0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5169   -0.0907    0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4332    1.2965    0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1791    1.8471    0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9676    1.0487    0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1048    1.5866    0.1288 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8551   -0.2883    0.1304 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3912   -0.7884    0.1131 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9716   -1.1768    0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2224   -0.8842    0.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7553   -1.8139   -0.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4556   -0.2696   -0.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4076   -0.5804    1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3540    1.8661    0.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0618    2.9118    0.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6770   -2.2516    0.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6815    0.0700    0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9447   -1.7226    0.2099 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