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
    2.2451   -1.4763   -0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2577   -0.3648   -0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7467    0.9311   -0.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8021    1.9312   -0.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5400    1.6048   -0.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4312    2.5056   -0.5424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9777    0.3344   -0.4123 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0615   -0.6120   -0.3008 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3740    0.0365   -0.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8480   -1.1845   -0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2192   -1.0980    0.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3229   -2.0430   -1.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8676   -2.1343    0.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8140    1.1498   -0.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1295    2.9525   -0.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0644    0.8578   -0.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9039   -1.3499   -0.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2040   -2.0407   -0.4013 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