(3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one

C13H17NO2 — CID 10889408

IUPAC(3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one
SMILESC[C@@H](O)[C@@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C13H17NO2/c1-10(15)12-7-8-14(13(12)16)9-11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3/t10-,12+/m1/s1
InChIKeyTXVDEZSEVBJLJF-PWSUYJOCSA-N
MW219.28 g/mol
LogP1.42
Rot. Bonds3

About (3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one

(3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one (PubChem CID 10889408) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one
PubChem CID10889408
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one
SMILESC[C@@H](O)[C@@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C13H17NO2/c1-10(15)12-7-8-14(13(12)16)9-11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3/t10-,12+/m1/s1
InChIKeyTXVDEZSEVBJLJF-PWSUYJOCSA-N
XLogP1.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one?
The IUPAC name of (3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one (CID 10889408) is (3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one is C[C@@H](O)[C@@H]1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of (3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one?
The InChIKey is TXVDEZSEVBJLJF-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(15)12-7-8-14(13(12)16)9-11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3/t10-,12+/m1/s1.
What are the key properties of (3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one?
(3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 10889408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).