8-oxa-4-azaspiro[2.6]nonan-5-one

C7H11NO2 — CID 84648617

IUPAC8-oxa-4-azaspiro[2.6]nonan-5-one
SMILESO=C1CCOCC2(CC2)N1
InChIInChI=1S/C7H11NO2/c9-6-1-4-10-5-7(8-6)2-3-7/h1-5H2,(H,8,9)
InChIKeyPYINBPSGWJIAQX-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.06
Rot. Bonds

About 8-oxa-4-azaspiro[2.6]nonan-5-one

8-oxa-4-azaspiro[2.6]nonan-5-one (PubChem CID 84648617) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 8-oxa-4-azaspiro[2.6]nonan-5-one.

Molecular Properties

Compound Name8-oxa-4-azaspiro[2.6]nonan-5-one
PubChem CID84648617
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name8-oxa-4-azaspiro[2.6]nonan-5-one
SMILESO=C1CCOCC2(CC2)N1
InChIInChI=1S/C7H11NO2/c9-6-1-4-10-5-7(8-6)2-3-7/h1-5H2,(H,8,9)
InChIKeyPYINBPSGWJIAQX-UHFFFAOYSA-N
XLogP0.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-4-azaspiro[2.6]nonan-5-one?
The IUPAC name of 8-oxa-4-azaspiro[2.6]nonan-5-one (CID 84648617) is 8-oxa-4-azaspiro[2.6]nonan-5-one.
What is the SMILES notation for 8-oxa-4-azaspiro[2.6]nonan-5-one?
The canonical SMILES for 8-oxa-4-azaspiro[2.6]nonan-5-one is O=C1CCOCC2(CC2)N1.
What is the InChIKey of 8-oxa-4-azaspiro[2.6]nonan-5-one?
The InChIKey is PYINBPSGWJIAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-6-1-4-10-5-7(8-6)2-3-7/h1-5H2,(H,8,9).
What are the key properties of 8-oxa-4-azaspiro[2.6]nonan-5-one?
8-oxa-4-azaspiro[2.6]nonan-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-4-azaspiro[2.6]nonan-5-one is sourced from PubChem (CID 84648617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).