1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione

C10H16N2O6 — CID 568389

IUPAC1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione
SMILESO=C1COCC(=O)OCC(=O)NCCOCCN1
InChIInChI=1S/C10H16N2O6/c13-8-5-17-7-10(15)18-6-9(14)12-2-4-16-3-1-11-8/h1-7H2,(H,11,13)(H,12,14)
InChIKeyIGBBAFBZOHGCIZ-UHFFFAOYSA-N
MW260.25 g/mol
LogP-2.19
Rot. Bonds

About 1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione

1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione (PubChem CID 568389) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione.

Molecular Properties

Compound Name1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione
PubChem CID568389
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione
SMILESO=C1COCC(=O)OCC(=O)NCCOCCN1
InChIInChI=1S/C10H16N2O6/c13-8-5-17-7-10(15)18-6-9(14)12-2-4-16-3-1-11-8/h1-7H2,(H,11,13)(H,12,14)
InChIKeyIGBBAFBZOHGCIZ-UHFFFAOYSA-N
XLogP-2.19
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-2.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione?
The IUPAC name of 1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione (CID 568389) is 1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione.
What is the SMILES notation for 1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione?
The canonical SMILES for 1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione is O=C1COCC(=O)OCC(=O)NCCOCCN1.
What is the InChIKey of 1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione?
The InChIKey is IGBBAFBZOHGCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6/c13-8-5-17-7-10(15)18-6-9(14)12-2-4-16-3-1-11-8/h1-7H2,(H,11,13)(H,12,14).
What are the key properties of 1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione?
1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione has a molecular weight of 260.25 g/mol, XLogP of -2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione is sourced from PubChem (CID 568389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).