(4R)-4-butyl-3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C13H24N2O2 — CID 59657457

IUPAC(4R)-4-butyl-3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC[C@H]1N(C)C(=O)OC12CCN(C)CC2
InChIInChI=1S/C13H24N2O2/c1-4-5-6-11-13(17-12(16)15(11)3)7-9-14(2)10-8-13/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyPXLNCXSTTNOXRT-LLVKDONJSA-N
MW240.35 g/mol
LogP2.09
Rot. Bonds3

About (4R)-4-butyl-3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

(4R)-4-butyl-3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 59657457) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (4R)-4-butyl-3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4R)-4-butyl-3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID59657457
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(4R)-4-butyl-3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC[C@H]1N(C)C(=O)OC12CCN(C)CC2
InChIInChI=1S/C13H24N2O2/c1-4-5-6-11-13(17-12(16)15(11)3)7-9-14(2)10-8-13/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyPXLNCXSTTNOXRT-LLVKDONJSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-butyl-3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (4R)-4-butyl-3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 59657457) is (4R)-4-butyl-3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (4R)-4-butyl-3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (4R)-4-butyl-3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCC[C@H]1N(C)C(=O)OC12CCN(C)CC2.
What is the InChIKey of (4R)-4-butyl-3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PXLNCXSTTNOXRT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-5-6-11-13(17-12(16)15(11)3)7-9-14(2)10-8-13/h11H,4-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (4R)-4-butyl-3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
(4R)-4-butyl-3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 240.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-butyl-3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 59657457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).