6-[bis(methylperoxy)phosphorylmethyl]-1H-quinoxalin-2-one

C11H13N2O6P — CID 88780051

IUPAC6-[bis(methylperoxy)phosphorylmethyl]-1H-quinoxalin-2-one
SMILESCOOP(=O)(Cc1ccc2[nH]c(=O)cnc2c1)OOC
InChIInChI=1S/C11H13N2O6P/c1-16-18-20(15,19-17-2)7-8-3-4-9-10(5-8)12-6-11(14)13-9/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyRVUTVINXYABWQY-UHFFFAOYSA-N
MW300.21 g/mol
LogP1.77
Rot. Bonds6

About 6-[bis(methylperoxy)phosphorylmethyl]-1H-quinoxalin-2-one

6-[bis(methylperoxy)phosphorylmethyl]-1H-quinoxalin-2-one (PubChem CID 88780051) has the molecular formula C11H13N2O6P and a molecular weight of 300.21 g/mol. Its IUPAC name is 6-[bis(methylperoxy)phosphorylmethyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-[bis(methylperoxy)phosphorylmethyl]-1H-quinoxalin-2-one
PubChem CID88780051
Molecular FormulaC11H13N2O6P
Molecular Weight300.21 g/mol
Exact Mass300.05
IUPAC Name6-[bis(methylperoxy)phosphorylmethyl]-1H-quinoxalin-2-one
SMILESCOOP(=O)(Cc1ccc2[nH]c(=O)cnc2c1)OOC
InChIInChI=1S/C11H13N2O6P/c1-16-18-20(15,19-17-2)7-8-3-4-9-10(5-8)12-6-11(14)13-9/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyRVUTVINXYABWQY-UHFFFAOYSA-N
XLogP1.77
TPSA99.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(methylperoxy)phosphorylmethyl]-1H-quinoxalin-2-one?
The IUPAC name of 6-[bis(methylperoxy)phosphorylmethyl]-1H-quinoxalin-2-one (CID 88780051) is 6-[bis(methylperoxy)phosphorylmethyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 6-[bis(methylperoxy)phosphorylmethyl]-1H-quinoxalin-2-one?
The canonical SMILES for 6-[bis(methylperoxy)phosphorylmethyl]-1H-quinoxalin-2-one is COOP(=O)(Cc1ccc2[nH]c(=O)cnc2c1)OOC.
What is the InChIKey of 6-[bis(methylperoxy)phosphorylmethyl]-1H-quinoxalin-2-one?
The InChIKey is RVUTVINXYABWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2O6P/c1-16-18-20(15,19-17-2)7-8-3-4-9-10(5-8)12-6-11(14)13-9/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of 6-[bis(methylperoxy)phosphorylmethyl]-1H-quinoxalin-2-one?
6-[bis(methylperoxy)phosphorylmethyl]-1H-quinoxalin-2-one has a molecular weight of 300.21 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(methylperoxy)phosphorylmethyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 88780051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).