4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-1-one

C9H15NO3 — CID 126836629

IUPAC4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-1-one
SMILESO=C1NCC(O)CC12CCOCC2
InChIInChI=1S/C9H15NO3/c11-7-5-9(8(12)10-6-7)1-3-13-4-2-9/h7,11H,1-6H2,(H,10,12)
InChIKeyIKVLVYQJCUKZOL-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.34
Rot. Bonds

About 4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-1-one

4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-1-one (PubChem CID 126836629) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-1-one
PubChem CID126836629
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-1-one
SMILESO=C1NCC(O)CC12CCOCC2
InChIInChI=1S/C9H15NO3/c11-7-5-9(8(12)10-6-7)1-3-13-4-2-9/h7,11H,1-6H2,(H,10,12)
InChIKeyIKVLVYQJCUKZOL-UHFFFAOYSA-N
XLogP-0.34
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 ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-1-one?
The IUPAC name of 4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-1-one (CID 126836629) is 4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-1-one.
What is the SMILES notation for 4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-1-one?
The canonical SMILES for 4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-1-one is O=C1NCC(O)CC12CCOCC2.
What is the InChIKey of 4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-1-one?
The InChIKey is IKVLVYQJCUKZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-7-5-9(8(12)10-6-7)1-3-13-4-2-9/h7,11H,1-6H2,(H,10,12).
What are the key properties of 4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-1-one?
4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-1-one has a molecular weight of 185.22 g/mol, XLogP of -0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-1-one is sourced from PubChem (CID 126836629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).