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
    2.7159   -1.1681   -0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4806   -0.3738   -0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5576    0.8332    0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4537    1.5866    0.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7906    1.0848    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8196    1.7715    0.6849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8713   -0.0837   -0.2055 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2731   -0.7837   -0.4506 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0895   -0.6414   -0.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2636   -0.2650   -0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5057   -0.8168    0.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5338   -2.2542   -0.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0455   -0.8999   -1.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362    1.1860    0.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4760    2.5439    1.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0362   -1.4596   -1.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5219    0.5078    0.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1854   -0.7676   -0.6276 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