(6R)-8-ethyl-6-methyl-2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

C13H24N2O2 — CID 129053841

IUPAC(6R)-8-ethyl-6-methyl-2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCCN1CC2(CN(CC(C)C)C2)O[C@H](C)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-15-9-13(17-11(4)12(15)16)7-14(8-13)6-10(2)3/h10-11H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyXAVVKQXXDMOIPL-LLVKDONJSA-N
MW240.35 g/mol
LogP0.96
Rot. Bonds3

About (6R)-8-ethyl-6-methyl-2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

(6R)-8-ethyl-6-methyl-2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (PubChem CID 129053841) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (6R)-8-ethyl-6-methyl-2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.

Molecular Properties

Compound Name(6R)-8-ethyl-6-methyl-2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
PubChem CID129053841
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(6R)-8-ethyl-6-methyl-2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCCN1CC2(CN(CC(C)C)C2)O[C@H](C)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-15-9-13(17-11(4)12(15)16)7-14(8-13)6-10(2)3/h10-11H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyXAVVKQXXDMOIPL-LLVKDONJSA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-8-ethyl-6-methyl-2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The IUPAC name of (6R)-8-ethyl-6-methyl-2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (CID 129053841) is (6R)-8-ethyl-6-methyl-2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.
What is the SMILES notation for (6R)-8-ethyl-6-methyl-2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The canonical SMILES for (6R)-8-ethyl-6-methyl-2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is CCN1CC2(CN(CC(C)C)C2)O[C@H](C)C1=O.
What is the InChIKey of (6R)-8-ethyl-6-methyl-2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The InChIKey is XAVVKQXXDMOIPL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-15-9-13(17-11(4)12(15)16)7-14(8-13)6-10(2)3/h10-11H,5-9H2,1-4H3/t11-/m1/s1.
What are the key properties of (6R)-8-ethyl-6-methyl-2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
(6R)-8-ethyl-6-methyl-2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one has a molecular weight of 240.35 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-ethyl-6-methyl-2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is sourced from PubChem (CID 129053841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).