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
    2.7468   -0.6823   -0.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4587   -0.1964   -0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5122    0.5490    0.9375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3541    1.0184    1.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8565    0.7026    0.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8994    1.1725    1.4212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -0.0225   -0.2634 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2774   -0.4469   -0.7532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0584   -0.3750   -0.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2562   -0.3607   -0.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2280   -1.4011   -0.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4198    0.2032   -0.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6371   -1.1133   -1.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4756    0.7785    1.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3631    1.6098    2.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9643   -0.7008   -1.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1023   -0.6677   -1.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4391   -0.0673    0.5858 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