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
   -2.7831   -0.9851    0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4837   -0.2846    0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5387    1.0446   -0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3693    1.7057   -0.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    1.0625   -0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9272    1.7328   -0.5498 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8521   -0.2136    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3079   -0.8679    0.2064 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0649   -0.9399    0.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2694   -0.4633    0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2251   -0.5337    1.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5804   -2.0643    0.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5034   -0.8045   -0.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5021    1.5638   -0.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3521    2.7483   -0.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575   -2.0392    0.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6033    0.5282    0.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1025   -1.1899    0.3180 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