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
   -3.0275    1.1097    0.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5342   -0.0487    0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1441   -0.2278   -0.0490 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2154    0.8083    0.1915 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0543    0.6360    0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0326    1.7343    0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6262   -0.6588   -0.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7412   -1.8338   -0.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6492   -1.4894   -0.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3721   -2.2996   -1.1427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0752    1.2781    0.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3609    1.9563    0.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2234   -0.8547   -0.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9564    1.2858    0.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5939    2.4830    1.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2082    2.2291   -0.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931   -0.5651   -1.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6427   -0.7887    0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1263   -2.6938   -0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8270   -2.0603    0.9515 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