(5R)-9-oxa-1-azaspiro[4.5]decane-2,8,10-trione

C8H9NO4 — CID 12939009

IUPAC(5R)-9-oxa-1-azaspiro[4.5]decane-2,8,10-trione
SMILESO=C1CC[C@]2(CCC(=O)OC2=O)N1
InChIInChI=1S/C8H9NO4/c10-5-1-3-8(9-5)4-2-6(11)13-7(8)12/h1-4H2,(H,9,10)/t8-/m1/s1
InChIKeyCQELCIVTULKSAE-MRVPVSSYSA-N
MW183.16 g/mol
LogP-0.50
Rot. Bonds

About (5R)-9-oxa-1-azaspiro[4.5]decane-2,8,10-trione

(5R)-9-oxa-1-azaspiro[4.5]decane-2,8,10-trione (PubChem CID 12939009) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is (5R)-9-oxa-1-azaspiro[4.5]decane-2,8,10-trione.

Molecular Properties

Compound Name(5R)-9-oxa-1-azaspiro[4.5]decane-2,8,10-trione
PubChem CID12939009
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name(5R)-9-oxa-1-azaspiro[4.5]decane-2,8,10-trione
SMILESO=C1CC[C@]2(CCC(=O)OC2=O)N1
InChIInChI=1S/C8H9NO4/c10-5-1-3-8(9-5)4-2-6(11)13-7(8)12/h1-4H2,(H,9,10)/t8-/m1/s1
InChIKeyCQELCIVTULKSAE-MRVPVSSYSA-N
XLogP-0.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-oxa-1-azaspiro[4.5]decane-2,8,10-trione?
The IUPAC name of (5R)-9-oxa-1-azaspiro[4.5]decane-2,8,10-trione (CID 12939009) is (5R)-9-oxa-1-azaspiro[4.5]decane-2,8,10-trione.
What is the SMILES notation for (5R)-9-oxa-1-azaspiro[4.5]decane-2,8,10-trione?
The canonical SMILES for (5R)-9-oxa-1-azaspiro[4.5]decane-2,8,10-trione is O=C1CC[C@]2(CCC(=O)OC2=O)N1.
What is the InChIKey of (5R)-9-oxa-1-azaspiro[4.5]decane-2,8,10-trione?
The InChIKey is CQELCIVTULKSAE-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H9NO4/c10-5-1-3-8(9-5)4-2-6(11)13-7(8)12/h1-4H2,(H,9,10)/t8-/m1/s1.
What are the key properties of (5R)-9-oxa-1-azaspiro[4.5]decane-2,8,10-trione?
(5R)-9-oxa-1-azaspiro[4.5]decane-2,8,10-trione has a molecular weight of 183.16 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-oxa-1-azaspiro[4.5]decane-2,8,10-trione is sourced from PubChem (CID 12939009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).