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
    2.6927    0.9066   -0.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4557    0.1914   -0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5604   -1.0234    0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4158   -1.6519    0.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8112   -1.0321    0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8497   -1.6189    1.0626 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8758    0.1527    0.0567 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2772    0.7376   -0.3354 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0717    0.8502   -0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2393    0.5957    0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8543    1.7921    0.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5795    1.2192   -1.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5347    0.1850   -0.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5489   -1.4402    0.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4741   -2.6055    1.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9975    1.7099   -0.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4527   -0.1996    0.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0956    1.2311   -0.0388 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