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
    3.1488    0.7993   -0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4474   -0.2632   -0.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0618   -0.3609   -0.3398 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3606    0.6692    0.2650 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8855    0.6513    0.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5523    1.8273    1.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -0.5310    0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1332   -1.4619   -0.7601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3528   -1.5310   -0.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8902   -2.6394   -0.9042 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6705    1.6344    0.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1914    0.8570   -0.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9570   -1.0938   -1.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1877    2.3787    0.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8156    2.5077    1.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1689    1.4173    2.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7419   -0.1899   -0.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8680   -1.1142    1.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5746   -2.4801   -0.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4403   -1.0767   -1.7698 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