(5S)-2-oxa-7-azaspiro[4.4]nonan-1-one

C7H11NO2 — CID 86331183

IUPAC(5S)-2-oxa-7-azaspiro[4.4]nonan-1-one
SMILESO=C1OCC[C@]12CCNC2
InChIInChI=1S/C7H11NO2/c9-6-7(2-4-10-6)1-3-8-5-7/h8H,1-5H2/t7-/m0/s1
InChIKeyLPVAUAPLYIDPFA-ZETCQYMHSA-N
MW141.17 g/mol
LogP-0.09
Rot. Bonds

About (5S)-2-oxa-7-azaspiro[4.4]nonan-1-one

(5S)-2-oxa-7-azaspiro[4.4]nonan-1-one (PubChem CID 86331183) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (5S)-2-oxa-7-azaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S)-2-oxa-7-azaspiro[4.4]nonan-1-one
PubChem CID86331183
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(5S)-2-oxa-7-azaspiro[4.4]nonan-1-one
SMILESO=C1OCC[C@]12CCNC2
InChIInChI=1S/C7H11NO2/c9-6-7(2-4-10-6)1-3-8-5-7/h8H,1-5H2/t7-/m0/s1
InChIKeyLPVAUAPLYIDPFA-ZETCQYMHSA-N
XLogP-0.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-oxa-7-azaspiro[4.4]nonan-1-one?
The IUPAC name of (5S)-2-oxa-7-azaspiro[4.4]nonan-1-one (CID 86331183) is (5S)-2-oxa-7-azaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S)-2-oxa-7-azaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S)-2-oxa-7-azaspiro[4.4]nonan-1-one is O=C1OCC[C@]12CCNC2.
What is the InChIKey of (5S)-2-oxa-7-azaspiro[4.4]nonan-1-one?
The InChIKey is LPVAUAPLYIDPFA-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11NO2/c9-6-7(2-4-10-6)1-3-8-5-7/h8H,1-5H2/t7-/m0/s1.
What are the key properties of (5S)-2-oxa-7-azaspiro[4.4]nonan-1-one?
(5S)-2-oxa-7-azaspiro[4.4]nonan-1-one has a molecular weight of 141.17 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-oxa-7-azaspiro[4.4]nonan-1-one is sourced from PubChem (CID 86331183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).