(5R,10R)-10-methyl-2-oxa-9-azaspiro[4.5]decan-1-one

C9H15NO2 — CID 97305435

IUPAC(5R,10R)-10-methyl-2-oxa-9-azaspiro[4.5]decan-1-one
SMILESC[C@H]1NCCC[C@@]12CCOC2=O
InChIInChI=1S/C9H15NO2/c1-7-9(3-2-5-10-7)4-6-12-8(9)11/h7,10H,2-6H2,1H3/t7-,9-/m1/s1
InChIKeyPHGSHOMLQWBDPR-VXNVDRBHSA-N
MW169.22 g/mol
LogP0.69
Rot. Bonds

About (5R,10R)-10-methyl-2-oxa-9-azaspiro[4.5]decan-1-one

(5R,10R)-10-methyl-2-oxa-9-azaspiro[4.5]decan-1-one (PubChem CID 97305435) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (5R,10R)-10-methyl-2-oxa-9-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R,10R)-10-methyl-2-oxa-9-azaspiro[4.5]decan-1-one
PubChem CID97305435
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(5R,10R)-10-methyl-2-oxa-9-azaspiro[4.5]decan-1-one
SMILESC[C@H]1NCCC[C@@]12CCOC2=O
InChIInChI=1S/C9H15NO2/c1-7-9(3-2-5-10-7)4-6-12-8(9)11/h7,10H,2-6H2,1H3/t7-,9-/m1/s1
InChIKeyPHGSHOMLQWBDPR-VXNVDRBHSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 130914669
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CID 101119733
(5R,6R)-6-hydroxy-8-(hydroxymethyl)-2-oxaspiro[4.5]dec-7-en-1-one
CID 24755778
(1'R)-9'-methylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one
CID 129013855
3-(aminomethyl)-3-methyloxolan-2-one
CID 90431319
3-amino-3-methyloxan-2-one;hydrochloride
CID 19437229
(3S)-3-bromo-3-methyloxolan-2-one
CID 15939456
(5S)-2-oxa-7-azaspiro[4.4]nonan-1-one
CID 86331183
3-amino-2-methylpiperidine-3-carbonitrile
CID 131218847
3,3-dimethyl-oxacyclopentadecan-2-one
CID 71147227
3,5-diethylspiro[4,10-dioxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one
CID 21351519
5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one
CID 66106756

Frequently Asked Questions

What is the IUPAC name of (5R,10R)-10-methyl-2-oxa-9-azaspiro[4.5]decan-1-one?
The IUPAC name of (5R,10R)-10-methyl-2-oxa-9-azaspiro[4.5]decan-1-one (CID 97305435) is (5R,10R)-10-methyl-2-oxa-9-azaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R,10R)-10-methyl-2-oxa-9-azaspiro[4.5]decan-1-one?
The canonical SMILES for (5R,10R)-10-methyl-2-oxa-9-azaspiro[4.5]decan-1-one is C[C@H]1NCCC[C@@]12CCOC2=O.
What is the InChIKey of (5R,10R)-10-methyl-2-oxa-9-azaspiro[4.5]decan-1-one?
The InChIKey is PHGSHOMLQWBDPR-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-9(3-2-5-10-7)4-6-12-8(9)11/h7,10H,2-6H2,1H3/t7-,9-/m1/s1.
What are the key properties of (5R,10R)-10-methyl-2-oxa-9-azaspiro[4.5]decan-1-one?
(5R,10R)-10-methyl-2-oxa-9-azaspiro[4.5]decan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10R)-10-methyl-2-oxa-9-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 97305435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).