(5S)-1-oxa-9-azaspiro[4.5]decan-2-one

C8H13NO2 — CID 86334414

IUPAC(5S)-1-oxa-9-azaspiro[4.5]decan-2-one
SMILESO=C1CC[C@]2(CCCNC2)O1
InChIInChI=1S/C8H13NO2/c10-7-2-4-8(11-7)3-1-5-9-6-8/h9H,1-6H2/t8-/m0/s1
InChIKeyFTYPAOABBVPJML-QMMMGPOBSA-N
MW155.20 g/mol
LogP0.45
Rot. Bonds

About (5S)-1-oxa-9-azaspiro[4.5]decan-2-one

(5S)-1-oxa-9-azaspiro[4.5]decan-2-one (PubChem CID 86334414) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (5S)-1-oxa-9-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S)-1-oxa-9-azaspiro[4.5]decan-2-one
PubChem CID86334414
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(5S)-1-oxa-9-azaspiro[4.5]decan-2-one
SMILESO=C1CC[C@]2(CCCNC2)O1
InChIInChI=1S/C8H13NO2/c10-7-2-4-8(11-7)3-1-5-9-6-8/h9H,1-6H2/t8-/m0/s1
InChIKeyFTYPAOABBVPJML-QMMMGPOBSA-N
XLogP0.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

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Related Compounds

(2S)-spiro[3,4-dihydrochromene-2,3'-piperidine]
CID 129406410
3-(2-aminoethyl)-1-oxa-3,8-diazaspiro[5.5]undecan-2-one
CID 105466874
1-oxa-4,8-diazaspiro[5.5]undecane
CID 66799065
(6S)-1-oxa-8-azaspiro[5.5]undecane
CID 98010276
1-oxaspiro[4.4]nonane-2,8-dione
CID 68731112
6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one
CID 101251967
1-oxa-9-azaspiro[3.6]decane
CID 118209885
3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 131629235
(5R)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 99645109
2-methyl-1-oxa-8-azaspiro[3.5]nonane
CID 177330076
1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 90755002
8,11,15,18-tetrazaspiro[5.13]nonadecan-5-one
CID 101251963

Frequently Asked Questions

What is the IUPAC name of (5S)-1-oxa-9-azaspiro[4.5]decan-2-one?
The IUPAC name of (5S)-1-oxa-9-azaspiro[4.5]decan-2-one (CID 86334414) is (5S)-1-oxa-9-azaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S)-1-oxa-9-azaspiro[4.5]decan-2-one?
The canonical SMILES for (5S)-1-oxa-9-azaspiro[4.5]decan-2-one is O=C1CC[C@]2(CCCNC2)O1.
What is the InChIKey of (5S)-1-oxa-9-azaspiro[4.5]decan-2-one?
The InChIKey is FTYPAOABBVPJML-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO2/c10-7-2-4-8(11-7)3-1-5-9-6-8/h9H,1-6H2/t8-/m0/s1.
What are the key properties of (5S)-1-oxa-9-azaspiro[4.5]decan-2-one?
(5S)-1-oxa-9-azaspiro[4.5]decan-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-oxa-9-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 86334414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).