(5R,7S)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one

C10H17NO2 — CID 45092412

IUPAC(5R,7S)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC[C@H]1CCC[C@]2(CNC(=O)O2)C1
InChIInChI=1S/C10H17NO2/c1-2-8-4-3-5-10(6-8)7-11-9(12)13-10/h8H,2-7H2,1H3,(H,11,12)/t8-,10+/m0/s1
InChIKeyFJEXNHMZWVMHDK-WCBMZHEXSA-N
MW183.25 g/mol
LogP2.07
Rot. Bonds1

About (5R,7S)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one

(5R,7S)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 45092412) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (5R,7S)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R,7S)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID45092412
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(5R,7S)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC[C@H]1CCC[C@]2(CNC(=O)O2)C1
InChIInChI=1S/C10H17NO2/c1-2-8-4-3-5-10(6-8)7-11-9(12)13-10/h8H,2-7H2,1H3,(H,11,12)/t8-,10+/m0/s1
InChIKeyFJEXNHMZWVMHDK-WCBMZHEXSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Oxa-3-azaspiro(4.5)decan-2-one
CID 349043
1-Oxa-3-azaspiro[4.6]undecan-2-one
CID 349659
4-Methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 298863
(5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one
CID 134861233
7-(Trifluoromethyl)-1-oxa-3-azaspiro[4.5]decan-2-one
CID 65585568
7-Butyl-8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one
CID 170720876
7-Methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 65583670
8-Methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 65584516
8-Propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 65585151
(4R)-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 68102132
(4S)-5,5-dipentyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 69648171
7-(Aminomethyl)-3-neopentyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 71116056

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of (5R,7S)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one (CID 45092412) is (5R,7S)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R,7S)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for (5R,7S)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one is CC[C@H]1CCC[C@]2(CNC(=O)O2)C1.
What is the InChIKey of (5R,7S)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is FJEXNHMZWVMHDK-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-8-4-3-5-10(6-8)7-11-9(12)13-10/h8H,2-7H2,1H3,(H,11,12)/t8-,10+/m0/s1.
What are the key properties of (5R,7S)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
(5R,7S)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 183.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 45092412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).