(2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one

C10H17NO2 — CID 10012596

IUPAC(2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one
SMILESC[C@@H]1OC2(CCN(C)CC2)CC1=O
InChIInChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyOODDNJQTVFMGCF-QMMMGPOBSA-N
MW183.25 g/mol
LogP0.83
Rot. Bonds

About (2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one

(2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one (PubChem CID 10012596) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one
PubChem CID10012596
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one
SMILESC[C@@H]1OC2(CCN(C)CC2)CC1=O
InChIInChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyOODDNJQTVFMGCF-QMMMGPOBSA-N
XLogP0.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one?
The IUPAC name of (2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one (CID 10012596) is (2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one.
What is the SMILES notation for (2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one?
The canonical SMILES for (2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one is C[C@@H]1OC2(CCN(C)CC2)CC1=O.
What is the InChIKey of (2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one?
The InChIKey is OODDNJQTVFMGCF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one?
(2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one has a molecular weight of 183.25 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 10012596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).