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

C9H15NO2 — CID 59718888

IUPAC4-oxa-1-azaspiro[5.5]undecan-2-one
SMILESO=C1COCC2(CCCCC2)N1
InChIInChI=1S/C9H15NO2/c11-8-6-12-7-9(10-8)4-2-1-3-5-9/h1-7H2,(H,10,11)
InChIKeyMBOFPQLWTOXERH-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.84
Rot. Bonds

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

4-oxa-1-azaspiro[5.5]undecan-2-one (PubChem CID 59718888) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-oxa-1-azaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name4-oxa-1-azaspiro[5.5]undecan-2-one
PubChem CID59718888
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-oxa-1-azaspiro[5.5]undecan-2-one
SMILESO=C1COCC2(CCCCC2)N1
InChIInChI=1S/C9H15NO2/c11-8-6-12-7-9(10-8)4-2-1-3-5-9/h1-7H2,(H,10,11)
InChIKeyMBOFPQLWTOXERH-UHFFFAOYSA-N
XLogP0.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxa-1-azaspiro[5.5]undecan-2-one?
The IUPAC name of 4-oxa-1-azaspiro[5.5]undecan-2-one (CID 59718888) is 4-oxa-1-azaspiro[5.5]undecan-2-one.
What is the SMILES notation for 4-oxa-1-azaspiro[5.5]undecan-2-one?
The canonical SMILES for 4-oxa-1-azaspiro[5.5]undecan-2-one is O=C1COCC2(CCCCC2)N1.
What is the InChIKey of 4-oxa-1-azaspiro[5.5]undecan-2-one?
The InChIKey is MBOFPQLWTOXERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-8-6-12-7-9(10-8)4-2-1-3-5-9/h1-7H2,(H,10,11).
What are the key properties of 4-oxa-1-azaspiro[5.5]undecan-2-one?
4-oxa-1-azaspiro[5.5]undecan-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxa-1-azaspiro[5.5]undecan-2-one is sourced from PubChem (CID 59718888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).