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
    2.8165   -1.6252   -0.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3619   -0.7824    0.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0574   -0.2474    0.3306 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1302   -0.5718   -0.6796 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0679   -0.0954   -0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0089   -0.4778   -1.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5914    0.8451    0.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4729    1.5859    0.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6368    0.6485    1.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799    0.6539    2.4997 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8058   -2.0075   -0.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1721   -1.9174   -1.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0122   -0.4867    1.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5021   -1.2256   -2.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2877    0.4077   -2.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8719   -0.9954   -1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2217    0.2898    1.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2683    1.6137   -0.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0389    2.3141    0.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8412    2.0739    1.9050 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