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
   -2.9163    1.5682    0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5259    0.3387   -0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1669   -0.0580   -0.0761 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0744    0.8102    0.0537 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1434    0.4489   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2773    1.4344    0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5551   -0.9402   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4965   -1.8795    0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138   -1.4268   -0.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5528   -2.2257   -0.8886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9538    1.8635    0.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1932    2.3731    0.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2835   -0.4161   -0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7463    1.6562   -0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9080    2.3745    0.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0735    0.9875    0.7879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5479   -1.0492   -1.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5626   -1.1729    0.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4616   -1.7488    1.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7083   -2.9380   -0.0352 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