(5S)-5-[(2S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one

C11H17NO3 — CID 59336241

IUPAC(5S)-5-[(2S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one
SMILESCC(C)C1C[C@@H]([C@@H]2CCC(=O)N2)OC1=O
InChIInChI=1S/C11H17NO3/c1-6(2)7-5-9(15-11(7)14)8-3-4-10(13)12-8/h6-9H,3-5H2,1-2H3,(H,12,13)/t7?,8-,9-/m0/s1
InChIKeyXPOVSDAEJCGHKP-NPPUSCPJSA-N
MW211.26 g/mol
LogP0.85
Rot. Bonds2

About (5S)-5-[(2S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one

(5S)-5-[(2S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one (PubChem CID 59336241) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (5S)-5-[(2S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one
PubChem CID59336241
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(5S)-5-[(2S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one
SMILESCC(C)C1C[C@@H]([C@@H]2CCC(=O)N2)OC1=O
InChIInChI=1S/C11H17NO3/c1-6(2)7-5-9(15-11(7)14)8-3-4-10(13)12-8/h6-9H,3-5H2,1-2H3,(H,12,13)/t7?,8-,9-/m0/s1
InChIKeyXPOVSDAEJCGHKP-NPPUSCPJSA-N
XLogP0.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(2S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one (CID 59336241) is (5S)-5-[(2S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(2S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(2S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one is CC(C)C1C[C@@H]([C@@H]2CCC(=O)N2)OC1=O.
What is the InChIKey of (5S)-5-[(2S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one?
The InChIKey is XPOVSDAEJCGHKP-NPPUSCPJSA-N. The full InChI is InChI=1S/C11H17NO3/c1-6(2)7-5-9(15-11(7)14)8-3-4-10(13)12-8/h6-9H,3-5H2,1-2H3,(H,12,13)/t7?,8-,9-/m0/s1.
What are the key properties of (5S)-5-[(2S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one?
(5S)-5-[(2S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 59336241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).