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
    3.1335    0.4322   -0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4021   -0.6505   -0.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0068   -0.5665   -0.3109 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4430    0.6639    0.0253 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8173    0.8480    0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2822    2.2126    0.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8209   -0.2217    0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2237   -1.6007    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1233   -1.6618   -0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5039   -2.6926   -1.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1936    0.3564   -0.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6989    1.3798   -0.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8350   -1.5998   -0.7727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5427    2.2061    1.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1290    2.5252   -0.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4850    2.9758    0.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4422   -0.1045   -0.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5475   -0.1636    0.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1698   -2.0239    1.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8798   -2.3144   -0.4201 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