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
    2.3889   -1.1779    0.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2700   -0.2270    0.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4799    1.1350    0.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4544    2.0094    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8265    1.5507   -0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7735    2.3672   -0.3298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093    0.2194   -0.1785 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0099   -0.6378    0.0060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3263   -0.2659   -0.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5309   -1.5544   -0.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5861   -1.8026   -0.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3015   -0.6091    0.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2177   -1.8372    1.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4954    1.5071    0.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    3.0837    0.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1444    0.4176   -0.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7192   -2.2350   -0.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5153   -1.9432   -0.5961 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