11-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one

C9H15NO3 — CID 45092429

IUPAC11-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
SMILESO=C1NCCC2(CCCCC2O)O1
InChIInChI=1S/C9H15NO3/c11-7-3-1-2-4-9(7)5-6-10-8(12)13-9/h7,11H,1-6H2,(H,10,12)
InChIKeyYXIKFLBKXPAGRO-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.79
Rot. Bonds

About 11-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one

11-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one (PubChem CID 45092429) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 11-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name11-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
PubChem CID45092429
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name11-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
SMILESO=C1NCCC2(CCCCC2O)O1
InChIInChI=1S/C9H15NO3/c11-7-3-1-2-4-9(7)5-6-10-8(12)13-9/h7,11H,1-6H2,(H,10,12)
InChIKeyYXIKFLBKXPAGRO-UHFFFAOYSA-N
XLogP0.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one?
The IUPAC name of 11-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one (CID 45092429) is 11-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one.
What is the SMILES notation for 11-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one?
The canonical SMILES for 11-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one is O=C1NCCC2(CCCCC2O)O1.
What is the InChIKey of 11-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one?
The InChIKey is YXIKFLBKXPAGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-7-3-1-2-4-9(7)5-6-10-8(12)13-9/h7,11H,1-6H2,(H,10,12).
What are the key properties of 11-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one?
11-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one has a molecular weight of 185.22 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one is sourced from PubChem (CID 45092429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).