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
    3.0267    1.2487   -0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4886    0.1075   -0.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1055   -0.1571   -0.3345 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1973    0.7994    0.1898 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    0.5536    0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9992    1.5879    0.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6678   -0.7282   -0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6661   -1.8345    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586   -1.4112   -0.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0858   -2.1042   -1.6194 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0811    1.4328   -0.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4415    2.0565    0.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1218   -0.6582   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7560    1.0564    1.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3835    2.2985    1.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5161    2.0470   -0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5915   -0.9231    0.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9518   -0.6056   -1.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0636   -2.7802   -0.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4527   -1.9860    1.0995 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