2,3-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-5-ol

C10H10N2O3 — CID 137185439

IUPAC2,3-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-5-ol
SMILESCc1c(C)[n+]([O-])c2c(O)cccc2[n+]1[O-]
InChIInChI=1S/C10H10N2O3/c1-6-7(2)12(15)10-8(11(6)14)4-3-5-9(10)13/h3-5,13H,1-2H3
InChIKeyJYGWETSEFAJYOT-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.43
Rot. Bonds

About 2,3-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-5-ol

2,3-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-5-ol (PubChem CID 137185439) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-5-ol.

Molecular Properties

Compound Name2,3-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-5-ol
PubChem CID137185439
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2,3-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-5-ol
SMILESCc1c(C)[n+]([O-])c2c(O)cccc2[n+]1[O-]
InChIInChI=1S/C10H10N2O3/c1-6-7(2)12(15)10-8(11(6)14)4-3-5-9(10)13/h3-5,13H,1-2H3
InChIKeyJYGWETSEFAJYOT-UHFFFAOYSA-N
XLogP0.43
TPSA74.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-5-ol?
The IUPAC name of 2,3-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-5-ol (CID 137185439) is 2,3-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-5-ol.
What is the SMILES notation for 2,3-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-5-ol?
The canonical SMILES for 2,3-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-5-ol is Cc1c(C)[n+]([O-])c2c(O)cccc2[n+]1[O-].
What is the InChIKey of 2,3-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-5-ol?
The InChIKey is JYGWETSEFAJYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6-7(2)12(15)10-8(11(6)14)4-3-5-9(10)13/h3-5,13H,1-2H3.
What are the key properties of 2,3-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-5-ol?
2,3-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-5-ol has a molecular weight of 206.20 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-5-ol is sourced from PubChem (CID 137185439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).