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
   -2.3027   -1.2060    0.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2551   -0.2219    0.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6259    1.0724   -0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6287    1.9547   -0.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6726    1.5003   -0.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6007    2.2877   -0.8011 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0174    0.2265   -0.1771 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0300   -0.5921    0.1631 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3615   -0.1942   -0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6835   -1.4268    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1967   -1.5111    1.6604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1878   -2.0649   -0.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3128   -0.7829    0.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6806    1.3875   -0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9131    2.9700   -0.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1282    0.4982   -0.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7022   -1.7794    0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9072   -2.1180    0.3426 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