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
    2.5639    1.3277   -2.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4259    1.3532   -1.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0121    0.0505   -0.8474 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2977    0.8278    0.0027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0669    0.2078    0.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2326    1.0015    1.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0883   -1.2339    1.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3852   -1.6813    0.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6628   -1.0491   -0.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4631   -1.9680   -1.4875 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9515    2.2446   -2.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0559    0.4014   -2.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9955    2.2793   -1.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1273    0.4352    1.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2593    1.9819    0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0407    0.9312    2.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6883   -1.8450    0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2646   -1.2881    2.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0551   -1.2191    1.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4948   -2.7576    0.8437 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