(2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate

C15H19NO6 — CID 171475250

IUPAC(2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)CCC1=O)OC1C(=O)CCC1=O
InChIInChI=1S/C15H19NO6/c17-10-5-6-11(18)15(10)22-14(21)4-2-1-3-9-16-12(19)7-8-13(16)20/h15H,1-9H2
InChIKeyNCGANPUMCDWJGS-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.54
Rot. Bonds7

About (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate

(2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate (PubChem CID 171475250) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate.

Molecular Properties

Compound Name(2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
PubChem CID171475250
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name(2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)CCC1=O)OC1C(=O)CCC1=O
InChIInChI=1S/C15H19NO6/c17-10-5-6-11(18)15(10)22-14(21)4-2-1-3-9-16-12(19)7-8-13(16)20/h15H,1-9H2
InChIKeyNCGANPUMCDWJGS-UHFFFAOYSA-N
XLogP0.54
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate?
The IUPAC name of (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate (CID 171475250) is (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate.
What is the SMILES notation for (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate?
The canonical SMILES for (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate is O=C(CCCCCN1C(=O)CCC1=O)OC1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate?
The InChIKey is NCGANPUMCDWJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6/c17-10-5-6-11(18)15(10)22-14(21)4-2-1-3-9-16-12(19)7-8-13(16)20/h15H,1-9H2.
What are the key properties of (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate?
(2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate has a molecular weight of 309.32 g/mol, XLogP of 0.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate is sourced from PubChem (CID 171475250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).