(5S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one

C12H19NO3 — CID 59336255

IUPAC(5S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one
SMILESCC(C)[C@@H]1C[C@@H]([C@@H]2CCC(=O)N2C)OC1=O
InChIInChI=1S/C12H19NO3/c1-7(2)8-6-10(16-12(8)15)9-4-5-11(14)13(9)3/h7-10H,4-6H2,1-3H3/t8-,9-,10-/m0/s1
InChIKeyQEVXAUPULDBGLN-GUBZILKMSA-N
MW225.29 g/mol
LogP1.19
Rot. Bonds2

About (5S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one

(5S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one (PubChem CID 59336255) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (5S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one
PubChem CID59336255
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(5S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one
SMILESCC(C)[C@@H]1C[C@@H]([C@@H]2CCC(=O)N2C)OC1=O
InChIInChI=1S/C12H19NO3/c1-7(2)8-6-10(16-12(8)15)9-4-5-11(14)13(9)3/h7-10H,4-6H2,1-3H3/t8-,9-,10-/m0/s1
InChIKeyQEVXAUPULDBGLN-GUBZILKMSA-N
XLogP1.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one?
The IUPAC name of (5S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one (CID 59336255) is (5S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one?
The canonical SMILES for (5S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one is CC(C)[C@@H]1C[C@@H]([C@@H]2CCC(=O)N2C)OC1=O.
What is the InChIKey of (5S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one?
The InChIKey is QEVXAUPULDBGLN-GUBZILKMSA-N. The full InChI is InChI=1S/C12H19NO3/c1-7(2)8-6-10(16-12(8)15)9-4-5-11(14)13(9)3/h7-10H,4-6H2,1-3H3/t8-,9-,10-/m0/s1.
What are the key properties of (5S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one?
(5S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one has a molecular weight of 225.29 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 59336255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).