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
   -2.8444   -0.7642    0.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5237   -0.1441    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4228    1.0929   -0.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2164    1.6805   -0.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9425    0.9786   -0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0576    1.5311   -0.6685 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8422   -0.2142    0.1742 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3751   -0.7464    0.4303 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9800   -0.9738    0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2084   -0.7537    0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8029   -1.2470    1.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5987    0.0317    0.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1334   -1.4684   -0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3468    1.6086   -0.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1123    2.6516   -1.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7825   -1.8634    1.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5734    0.0469   -0.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9899   -1.4466    0.5808 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