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
    2.9168    1.2859   -0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5399    0.0291   -0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1432   -0.2430   -0.0511 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2035    0.7885    0.0043 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0653    0.5661    0.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9406    1.7759    0.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6428   -0.7691    0.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7745   -1.8828   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6716   -1.5646    0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4544   -2.4800    0.4422 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9518    1.5395   -0.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2131    2.1108   -0.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -0.7470   -0.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9194    2.2473   -0.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9805    1.4709    0.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5347    2.5371    0.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5923   -0.8102   -0.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552   -0.9767    1.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9503   -2.0410   -1.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0054   -2.8366    0.4355 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