(3S,5S)-5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one

C11H12FNO2 — CID 126469533

IUPAC(3S,5S)-5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1C(=O)[C@@H](O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c1-13-9(6-10(14)11(13)15)7-2-4-8(12)5-3-7/h2-5,9-10,14H,6H2,1H3/t9-,10-/m0/s1
InChIKeyBBVGEIFNTZBCIB-UWVGGRQHSA-N
MW209.22 g/mol
LogP1.09
Rot. Bonds1

About (3S,5S)-5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one

(3S,5S)-5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 126469533) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is (3S,5S)-5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5S)-5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID126469533
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name(3S,5S)-5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1C(=O)[C@@H](O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c1-13-9(6-10(14)11(13)15)7-2-4-8(12)5-3-7/h2-5,9-10,14H,6H2,1H3/t9-,10-/m0/s1
InChIKeyBBVGEIFNTZBCIB-UWVGGRQHSA-N
XLogP1.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of (3S,5S)-5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one (CID 126469533) is (3S,5S)-5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3S,5S)-5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for (3S,5S)-5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one is CN1C(=O)[C@@H](O)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (3S,5S)-5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is BBVGEIFNTZBCIB-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-13-9(6-10(14)11(13)15)7-2-4-8(12)5-3-7/h2-5,9-10,14H,6H2,1H3/t9-,10-/m0/s1.
What are the key properties of (3S,5S)-5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one?
(3S,5S)-5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 209.22 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 126469533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).