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
    2.8778   -0.8257   -1.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0289    0.1327   -1.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8312    0.2625   -0.7578 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5266   -0.5955    0.2798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5308   -0.4872    0.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8554   -1.4289    2.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5153    0.5724    0.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5060    1.1041   -0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0639    1.3147   -1.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3151    2.3752   -1.6561 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7859   -0.9606   -1.8144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589   -1.5041   -0.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2194    0.8247   -2.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9492   -1.6499    2.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6036   -0.9775    3.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3266   -2.3769    1.9986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5595    0.2421    0.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3235    1.3838    1.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9680    2.1225   -0.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0421    0.4717   -1.4023 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