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
    2.3470    1.5936    1.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3192    0.6465    0.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7933   -0.4264   -0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8788   -1.3241   -0.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4702   -1.0856   -0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2530   -1.9510   -0.9033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9228   -0.0608    0.2848 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0165    0.7860    0.7425 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2834    0.1867    0.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2939   -0.5086    0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9317    2.5282    1.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0290    1.8682    0.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9618    1.0333    1.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8312   -0.5755   -0.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1965   -2.1884   -1.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998    1.0920    1.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3166   -0.2090    0.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2652   -1.4051   -0.3634 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