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
    3.6382    0.3804    0.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3977    0.2045    0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0637    0.0156    0.0840 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130    0.8929    0.0985 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2372    0.6606    0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2377    1.7922    0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7629   -0.7100   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7359   -1.7527   -0.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6309   -1.3938    0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4613   -2.3028    0.2614 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2678   -0.5521    0.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2413    1.2461    0.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2729    1.6105    0.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6649    2.7352    0.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8041    1.6802    1.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8980    1.7884   -0.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2121   -0.9554    0.9863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5879   -0.7654   -0.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668   -2.7126    0.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7795   -1.8618   -1.4907 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