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
    2.7920    0.1451   -0.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4744    0.0396   -0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4722    0.0013    1.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2743   -0.0955    1.8319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9151   -0.1527    1.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0019   -0.2442    1.7385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8408   -0.1102   -0.2421 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3309   -0.0160   -0.8828 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9760   -0.1397   -1.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1935    0.0968   -0.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6708   -0.2959   -1.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0733    1.2154   -1.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5562   -0.3546   -0.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    0.0478    1.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2238   -0.1292    2.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8488   -0.3875   -2.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5215    0.3460    0.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9923    0.0335   -1.4416 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