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
    3.1119    0.1624    0.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5141    0.1307   -0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0961    0.0969   -0.3141 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2558    0.0988    0.8052 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0232    0.0709    0.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8955    0.0740    1.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7143    0.0352   -0.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8456   -0.5614   -1.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4973    0.0632   -1.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0953    0.5539   -2.6206 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1891    0.1877    1.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5627    0.1641    1.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1082    0.1313   -1.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3432    0.4511    2.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7596    0.7411    1.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2426   -0.9453    2.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6533   -0.5317   -0.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9597    1.0744   -0.9745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7397   -1.6318   -1.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2538   -0.3655   -2.7116 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