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

C14H19NO2 — CID 40630699

IUPAC(5S)-1-benzyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one
SMILESCC1(C)CC(=O)N(Cc2ccccc2)[C@@]1(C)O
InChIInChI=1S/C14H19NO2/c1-13(2)9-12(16)15(14(13,3)17)10-11-7-5-4-6-8-11/h4-8,17H,9-10H2,1-3H3/t14-/m0/s1
InChIKeyQLALGABCBOWXEQ-AWEZNQCLSA-N
MW233.31 g/mol
LogP2.15
Rot. Bonds2

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

(5S)-1-benzyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one (PubChem CID 40630699) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (5S)-1-benzyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one
PubChem CID40630699
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(5S)-1-benzyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one
SMILESCC1(C)CC(=O)N(Cc2ccccc2)[C@@]1(C)O
InChIInChI=1S/C14H19NO2/c1-13(2)9-12(16)15(14(13,3)17)10-11-7-5-4-6-8-11/h4-8,17H,9-10H2,1-3H3/t14-/m0/s1
InChIKeyQLALGABCBOWXEQ-AWEZNQCLSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S)-1-benzyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one?
The IUPAC name of (5S)-1-benzyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one (CID 40630699) is (5S)-1-benzyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one.
What is the SMILES notation for (5S)-1-benzyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one?
The canonical SMILES for (5S)-1-benzyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one is CC1(C)CC(=O)N(Cc2ccccc2)[C@@]1(C)O.
What is the InChIKey of (5S)-1-benzyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one?
The InChIKey is QLALGABCBOWXEQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19NO2/c1-13(2)9-12(16)15(14(13,3)17)10-11-7-5-4-6-8-11/h4-8,17H,9-10H2,1-3H3/t14-/m0/s1.
What are the key properties of (5S)-1-benzyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one?
(5S)-1-benzyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one is sourced from PubChem (CID 40630699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).