Monomers

6-Methyl-2-vinyl-4,5-dihydropyridazin-3(2H)-one

Identifiers

IUPAC name
2-ethenyl-6-methyl-4,5-dihydropyridazin-3-one
InchI
InChI=1S/C7H10N2O/c1-3-9-7(10)5-4-6(2)8-9/h3H,1,4-5H2,2H3
InchI Key
KAYCKJPWSBHULR-UHFFFAOYSA-N
SMILES
C=CN1N=C(C)CCC1=O
Canonical SMILES
CC1=NN(C(=O)CC1)C=C
Isomeric SMILES
CC1=NN(C(=O)CC1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10N2O
Heavy Atom Count
10
Molecular Weight
138.17
Exact Molecular Weight
138.0793
Valence Electrons
54
Radical Electrons
0
tPSA
32.67
MolLogP
1.1282
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.0165    0.9428   -0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5149   -0.1117   -0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1279   -0.2348    0.0260 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.7325   -0.3347 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0641    0.6196   -0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0614    1.6764   -0.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6100   -0.5169    0.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7737   -1.7418    0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457   -1.3901    0.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3739   -2.0358    1.4582 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0557    1.0049   -1.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3882    1.7658   -1.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2133   -0.8953    0.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6459    2.3479   -1.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2502    2.2940    0.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9930    1.1996   -0.8537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6910   -0.7010    0.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -0.3268    1.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8062   -2.0366   -0.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1027   -2.5927    1.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  6 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  8 19  1  0
  8 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers