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
    3.1382    0.6790   -0.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4600   -0.4533   -0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0492   -0.4321   -0.1999 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3235    0.7472   -0.0299 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9445    0.7822    0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759    2.1225    0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931   -0.4102    0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0442   -1.6931    0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3332   -1.6532   -0.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -2.6757   -0.6790 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2076    0.6474   -0.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6182    1.6142   -0.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9732   -1.3972   -0.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3425    2.7575   -0.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1178    2.5680    1.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6643    2.0433    0.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3611   -0.4296   -0.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5893   -0.3692    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9792   -1.9652    1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5915   -2.4826   -0.2519 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