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
   -2.2759   -1.0956    1.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2646   -0.1590    0.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5742    1.1491    0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5840    1.9687   -0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6706    1.4363   -0.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5781    2.1788   -0.8824 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9604    0.1624   -0.1217 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0012   -0.6050    0.3503 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2880   -0.2889   -0.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6085   -1.5324   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2195   -2.0212    0.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0135   -1.3180    2.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2896   -0.6648    1.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5855    1.5188    0.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8201    3.0132   -0.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    0.3578   -0.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6138   -1.8764   -0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8545   -2.2236    0.3704 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