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
    2.4846   -0.6267    0.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2740    0.0903    0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3003    1.4153   -0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1394    2.0276   -0.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0152    1.2949   -0.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0721    1.8258   -0.9758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0197    0.0262   -0.2046 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0972   -0.5339    0.1866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2050   -0.7236   -0.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2098   -1.9827    0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -1.5074    0.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3793   -0.0037    0.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2797   -1.0094    1.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2544    1.9354   -0.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2124    3.0600   -0.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1184   -0.2528   -0.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2893   -2.4436    0.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0997   -2.5917    0.2253 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