5-hydroxy-3-phenylsulfanyl-4-propylpyrrolidin-2-one

C13H17NO2S — CID 154988423

IUPAC5-hydroxy-3-phenylsulfanyl-4-propylpyrrolidin-2-one
SMILESCCCC1C(O)NC(=O)C1Sc1ccccc1
InChIInChI=1S/C13H17NO2S/c1-2-6-10-11(13(16)14-12(10)15)17-9-7-4-3-5-8-9/h3-5,7-8,10-12,15H,2,6H2,1H3,(H,14,16)
InChIKeyZDUPRCZYJCXBTA-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.01
Rot. Bonds4

About 5-hydroxy-3-phenylsulfanyl-4-propylpyrrolidin-2-one

5-hydroxy-3-phenylsulfanyl-4-propylpyrrolidin-2-one (PubChem CID 154988423) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 5-hydroxy-3-phenylsulfanyl-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-3-phenylsulfanyl-4-propylpyrrolidin-2-one
PubChem CID154988423
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name5-hydroxy-3-phenylsulfanyl-4-propylpyrrolidin-2-one
SMILESCCCC1C(O)NC(=O)C1Sc1ccccc1
InChIInChI=1S/C13H17NO2S/c1-2-6-10-11(13(16)14-12(10)15)17-9-7-4-3-5-8-9/h3-5,7-8,10-12,15H,2,6H2,1H3,(H,14,16)
InChIKeyZDUPRCZYJCXBTA-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-phenylsulfanyl-4-propylpyrrolidin-2-one?
The IUPAC name of 5-hydroxy-3-phenylsulfanyl-4-propylpyrrolidin-2-one (CID 154988423) is 5-hydroxy-3-phenylsulfanyl-4-propylpyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-3-phenylsulfanyl-4-propylpyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-3-phenylsulfanyl-4-propylpyrrolidin-2-one is CCCC1C(O)NC(=O)C1Sc1ccccc1.
What is the InChIKey of 5-hydroxy-3-phenylsulfanyl-4-propylpyrrolidin-2-one?
The InChIKey is ZDUPRCZYJCXBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-2-6-10-11(13(16)14-12(10)15)17-9-7-4-3-5-8-9/h3-5,7-8,10-12,15H,2,6H2,1H3,(H,14,16).
What are the key properties of 5-hydroxy-3-phenylsulfanyl-4-propylpyrrolidin-2-one?
5-hydroxy-3-phenylsulfanyl-4-propylpyrrolidin-2-one has a molecular weight of 251.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-phenylsulfanyl-4-propylpyrrolidin-2-one is sourced from PubChem (CID 154988423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).