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
    3.0652    0.8755   -0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5180   -0.2929   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1031   -0.3689    0.0192 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2876    0.7331   -0.2525 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9929    0.6767   -0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8257    1.8771   -0.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7121   -0.5858    0.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8983   -1.5358    0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4670   -1.6060    0.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0562   -2.7185    0.1017 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4854    1.7584   -0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1348    0.9756   -0.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1121   -1.1436    0.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9716    2.5176    0.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7677    1.5900   -1.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2649    2.5040   -1.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6957   -0.3758    0.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8729   -1.0970   -0.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3908   -2.5406    0.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8370   -1.2430    1.9735 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