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
    3.0327   -0.6416   -0.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5258    0.1713   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1161    0.1937    0.1789 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2453   -0.6025   -0.5454 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0190   -0.5651   -0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -1.4535   -1.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6612    0.3161    0.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8298    1.5294    0.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5919    1.0762    1.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    1.4863    2.1487 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1142   -0.6923   -1.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3979   -1.2941   -1.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1879    0.7919    0.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4050   -1.8646   -2.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2841   -2.2337   -0.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8180   -0.8308   -1.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6636    0.5997    0.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8275   -0.2373    1.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8718    2.2366    0.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1549    2.0142    1.9077 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