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
    2.3043   -0.9708    0.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260   -0.1506    0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6038    1.0742   -0.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6251    1.8506   -0.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6533    1.3537   -0.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5560    2.0478   -1.3233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0058    0.1575   -0.2868 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0496   -0.5697    0.2718 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3502   -0.3033   -0.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6588   -1.4762    0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2944   -0.7216    0.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0790   -2.0322    0.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2908   -0.8982    2.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6358    1.4274   -0.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8895    2.8258   -1.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0965    0.3113   -0.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9070   -2.0909    0.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6716   -1.8348    0.1087 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