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
    3.5910    0.4316   -0.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3689    0.2367   -0.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0273    0.0228   -0.2182 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0760    0.8830   -0.4156 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2957    0.5771   -0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4075    1.5507   -0.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6713   -0.7469    0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5149   -1.4083    1.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736   -1.3055    0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4038   -2.2839    0.0427 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2685   -0.4181   -0.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2098    1.2276   -0.9204 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    1.4588   -1.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9626    1.6037    0.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0594    1.0987   -1.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9848    2.4989   -0.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9357   -1.4060   -0.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5117   -0.6295    1.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8558   -2.4715    1.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3550   -0.9199    2.1205 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