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
    3.0074    1.1483    0.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4903    0.1348   -0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0952   -0.1232   -0.3275 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1680    0.6546    0.3745 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0920    0.4717    0.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9017    1.4338    1.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7441   -0.6258   -0.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7684   -1.7328   -0.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5663   -1.2061   -1.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2027   -1.6751   -2.0418 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3766    1.7998    0.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0686    1.3068    0.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1273   -0.5211   -0.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263    2.4206    0.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3497    1.5459    2.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9396    1.0893    1.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5864   -1.0743    0.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1159   -0.2604   -1.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1345   -2.3988   -1.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6436   -2.3881    0.2713 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