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
    2.2671   -1.4062    0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2446   -0.3683    0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6384    0.9409   -0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7231    1.9449   -0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5985    1.5731   -0.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4264    2.5008   -0.6204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9764    0.3057   -0.1618 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -0.6268    0.1089 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3518   -0.0308   -0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8066   -1.2477   -0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8421   -1.6982   -0.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8303   -2.3048    0.9613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0245   -1.0218    1.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6832    1.1659    0.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0193    2.9777   -0.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0450    0.7860   -0.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8623   -1.4323   -0.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1373   -2.0581    0.1586 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