6-(2,5-dioxopyrrolidin-1-yl)hexaneperoxoic acid

C10H15NO5 — CID 14716644

IUPAC6-(2,5-dioxopyrrolidin-1-yl)hexaneperoxoic acid
SMILESO=C(CCCCCN1C(=O)CCC1=O)OO
InChIInChI=1S/C10H15NO5/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)16-15/h15H,1-7H2
InChIKeyDIWSTYHXKUBKHF-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.71
Rot. Bonds6

About 6-(2,5-dioxopyrrolidin-1-yl)hexaneperoxoic acid

6-(2,5-dioxopyrrolidin-1-yl)hexaneperoxoic acid (PubChem CID 14716644) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrolidin-1-yl)hexaneperoxoic acid.

Molecular Properties

Compound Name6-(2,5-dioxopyrrolidin-1-yl)hexaneperoxoic acid
PubChem CID14716644
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name6-(2,5-dioxopyrrolidin-1-yl)hexaneperoxoic acid
SMILESO=C(CCCCCN1C(=O)CCC1=O)OO
InChIInChI=1S/C10H15NO5/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)16-15/h15H,1-7H2
InChIKeyDIWSTYHXKUBKHF-UHFFFAOYSA-N
XLogP0.71
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrolidin-1-yl)hexaneperoxoic acid?
The IUPAC name of 6-(2,5-dioxopyrrolidin-1-yl)hexaneperoxoic acid (CID 14716644) is 6-(2,5-dioxopyrrolidin-1-yl)hexaneperoxoic acid.
What is the SMILES notation for 6-(2,5-dioxopyrrolidin-1-yl)hexaneperoxoic acid?
The canonical SMILES for 6-(2,5-dioxopyrrolidin-1-yl)hexaneperoxoic acid is O=C(CCCCCN1C(=O)CCC1=O)OO.
What is the InChIKey of 6-(2,5-dioxopyrrolidin-1-yl)hexaneperoxoic acid?
The InChIKey is DIWSTYHXKUBKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)16-15/h15H,1-7H2.
What are the key properties of 6-(2,5-dioxopyrrolidin-1-yl)hexaneperoxoic acid?
6-(2,5-dioxopyrrolidin-1-yl)hexaneperoxoic acid has a molecular weight of 229.23 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrolidin-1-yl)hexaneperoxoic acid is sourced from PubChem (CID 14716644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).