(4S)-1-benzyl-4-hydroxypyrrolidin-2-one

C11H13NO2 — CID 11074227

IUPAC(4S)-1-benzyl-4-hydroxypyrrolidin-2-one
SMILESO=C1C[C@H](O)CN1Cc1ccccc1
InChIInChI=1S/C11H13NO2/c13-10-6-11(14)12(8-10)7-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2/t10-/m0/s1
InChIKeyOGAWUYQBXWYIJM-JTQLQIEISA-N
MW191.23 g/mol
LogP0.78
Rot. Bonds2

About (4S)-1-benzyl-4-hydroxypyrrolidin-2-one

(4S)-1-benzyl-4-hydroxypyrrolidin-2-one (PubChem CID 11074227) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (4S)-1-benzyl-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-benzyl-4-hydroxypyrrolidin-2-one
PubChem CID11074227
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(4S)-1-benzyl-4-hydroxypyrrolidin-2-one
SMILESO=C1C[C@H](O)CN1Cc1ccccc1
InChIInChI=1S/C11H13NO2/c13-10-6-11(14)12(8-10)7-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2/t10-/m0/s1
InChIKeyOGAWUYQBXWYIJM-JTQLQIEISA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-benzyl-4-hydroxypyrrolidin-2-one?
The IUPAC name of (4S)-1-benzyl-4-hydroxypyrrolidin-2-one (CID 11074227) is (4S)-1-benzyl-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for (4S)-1-benzyl-4-hydroxypyrrolidin-2-one?
The canonical SMILES for (4S)-1-benzyl-4-hydroxypyrrolidin-2-one is O=C1C[C@H](O)CN1Cc1ccccc1.
What is the InChIKey of (4S)-1-benzyl-4-hydroxypyrrolidin-2-one?
The InChIKey is OGAWUYQBXWYIJM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO2/c13-10-6-11(14)12(8-10)7-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2/t10-/m0/s1.
What are the key properties of (4S)-1-benzyl-4-hydroxypyrrolidin-2-one?
(4S)-1-benzyl-4-hydroxypyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-benzyl-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 11074227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).