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
    3.0835   -0.7970    0.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4938    0.2833   -0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1007    0.3980   -0.1137 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2884   -0.6246    0.3336 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9740   -0.6203    0.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7167   -1.8402    0.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7367    0.5539   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9763    1.4120   -1.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4149    1.5651   -0.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9773    2.6716   -0.6500 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1582   -0.9090    0.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4931   -1.6267    0.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0916    1.1041   -0.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0884   -2.7027    0.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8073   -1.7847    1.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966   -1.9258    0.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7287    0.2703   -0.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8812    1.1763    0.8191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4997    2.4002   -1.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.9962   -2.1048 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