(2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one

C10H18N2O — CID 53254510

IUPAC(2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC[C@H]1CC[C@@]2(CCCNC2=O)N1
InChIInChI=1S/C10H18N2O/c1-2-8-4-6-10(12-8)5-3-7-11-9(10)13/h8,12H,2-7H2,1H3,(H,11,13)/t8-,10+/m0/s1
InChIKeyROVXSXYKZNOKLA-WCBMZHEXSA-N
MW182.27 g/mol
LogP0.80
Rot. Bonds1

About (2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one

(2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 53254510) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name(2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID53254510
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC[C@H]1CC[C@@]2(CCCNC2=O)N1
InChIInChI=1S/C10H18N2O/c1-2-8-4-6-10(12-8)5-3-7-11-9(10)13/h8,12H,2-7H2,1H3,(H,11,13)/t8-,10+/m0/s1
InChIKeyROVXSXYKZNOKLA-WCBMZHEXSA-N
XLogP0.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of (2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one (CID 53254510) is (2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for (2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for (2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one is CC[C@H]1CC[C@@]2(CCCNC2=O)N1.
What is the InChIKey of (2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is ROVXSXYKZNOKLA-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-8-4-6-10(12-8)5-3-7-11-9(10)13/h8,12H,2-7H2,1H3,(H,11,13)/t8-,10+/m0/s1.
What are the key properties of (2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one?
(2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 182.27 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 53254510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).