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
    3.5507    0.8260   -0.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3694    0.5130   -0.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.1615   -0.3046 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0481    0.9152    0.0235 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2718    0.4998    0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3282    1.4797    0.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931   -0.9056   -0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5710   -1.8457   -0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7244   -1.2532   -0.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440   -2.0022   -0.9702 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0078   -0.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0644    1.7568   -0.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0957    1.8662   -0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9526    2.5073    0.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8521    1.2181    1.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1294    1.4308   -0.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3908   -0.9150   -0.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2811   -1.1791    0.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8143   -2.5072   -1.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4446   -2.5742    0.6061 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