(4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one

C18H19NO3 — CID 10851542

IUPAC(4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one
SMILESO=C1C[C@H](OCc2ccccc2)[C@H](O)N1Cc1ccccc1
InChIInChI=1S/C18H19NO3/c20-17-11-16(22-13-15-9-5-2-6-10-15)18(21)19(17)12-14-7-3-1-4-8-14/h1-10,16,18,21H,11-13H2/t16-,18-/m0/s1
InChIKeyFRULRRKZLIURFL-WMZOPIPTSA-N
MW297.35 g/mol
LogP2.32
Rot. Bonds5

About (4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one

(4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one (PubChem CID 10851542) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one
PubChem CID10851542
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one
SMILESO=C1C[C@H](OCc2ccccc2)[C@H](O)N1Cc1ccccc1
InChIInChI=1S/C18H19NO3/c20-17-11-16(22-13-15-9-5-2-6-10-15)18(21)19(17)12-14-7-3-1-4-8-14/h1-10,16,18,21H,11-13H2/t16-,18-/m0/s1
InChIKeyFRULRRKZLIURFL-WMZOPIPTSA-N
XLogP2.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one?
The IUPAC name of (4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one (CID 10851542) is (4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for (4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one is O=C1C[C@H](OCc2ccccc2)[C@H](O)N1Cc1ccccc1.
What is the InChIKey of (4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one?
The InChIKey is FRULRRKZLIURFL-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H19NO3/c20-17-11-16(22-13-15-9-5-2-6-10-15)18(21)19(17)12-14-7-3-1-4-8-14/h1-10,16,18,21H,11-13H2/t16-,18-/m0/s1.
What are the key properties of (4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one?
(4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one has a molecular weight of 297.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 10851542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).