9-oxa-6-azaspiro[4.5]decan-7-one

C8H13NO2 — CID 130769444

IUPAC9-oxa-6-azaspiro[4.5]decan-7-one
SMILESO=C1COCC2(CCCC2)N1
InChIInChI=1S/C8H13NO2/c10-7-5-11-6-8(9-7)3-1-2-4-8/h1-6H2,(H,9,10)
InChIKeyJPQRHWZCJFWPDG-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.45
Rot. Bonds

About 9-oxa-6-azaspiro[4.5]decan-7-one

9-oxa-6-azaspiro[4.5]decan-7-one (PubChem CID 130769444) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 9-oxa-6-azaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name9-oxa-6-azaspiro[4.5]decan-7-one
PubChem CID130769444
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name9-oxa-6-azaspiro[4.5]decan-7-one
SMILESO=C1COCC2(CCCC2)N1
InChIInChI=1S/C8H13NO2/c10-7-5-11-6-8(9-7)3-1-2-4-8/h1-6H2,(H,9,10)
InChIKeyJPQRHWZCJFWPDG-UHFFFAOYSA-N
XLogP0.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-oxa-6-azaspiro[4.5]decan-7-one?
The IUPAC name of 9-oxa-6-azaspiro[4.5]decan-7-one (CID 130769444) is 9-oxa-6-azaspiro[4.5]decan-7-one.
What is the SMILES notation for 9-oxa-6-azaspiro[4.5]decan-7-one?
The canonical SMILES for 9-oxa-6-azaspiro[4.5]decan-7-one is O=C1COCC2(CCCC2)N1.
What is the InChIKey of 9-oxa-6-azaspiro[4.5]decan-7-one?
The InChIKey is JPQRHWZCJFWPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-7-5-11-6-8(9-7)3-1-2-4-8/h1-6H2,(H,9,10).
What are the key properties of 9-oxa-6-azaspiro[4.5]decan-7-one?
9-oxa-6-azaspiro[4.5]decan-7-one has a molecular weight of 155.20 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-6-azaspiro[4.5]decan-7-one is sourced from PubChem (CID 130769444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).