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
   -2.2809    1.3634   -0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2549    0.2905    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6648   -1.0392    0.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6826   -2.0093    0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6229   -1.5680    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5219   -2.4510    0.1008 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0015   -0.2981    0.0252 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414    0.6338   -0.0066 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3752    0.0873    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7108    1.3635   -0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4112    1.7175    1.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2289    1.0003   -0.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9043    2.2076   -0.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6904   -1.3244    0.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9542   -3.0578    0.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1202   -0.6953    0.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445    1.6638   -0.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9338    2.1154   -0.0616 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