(5R)-1-(2-tert-butylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one

C15H21NO2 — CID 101074916

IUPAC(5R)-1-(2-tert-butylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(C)(C)c1ccccc1N1C(=O)CC[C@@H]1CO
InChIInChI=1S/C15H21NO2/c1-15(2,3)12-6-4-5-7-13(12)16-11(10-17)8-9-14(16)18/h4-7,11,17H,8-10H2,1-3H3/t11-/m1/s1
InChIKeyWQQZLXFPUVZDCC-LLVKDONJSA-N
MW247.34 g/mol
LogP2.47
Rot. Bonds2

About (5R)-1-(2-tert-butylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one

(5R)-1-(2-tert-butylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 101074916) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (5R)-1-(2-tert-butylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-(2-tert-butylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID101074916
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(5R)-1-(2-tert-butylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(C)(C)c1ccccc1N1C(=O)CC[C@@H]1CO
InChIInChI=1S/C15H21NO2/c1-15(2,3)12-6-4-5-7-13(12)16-11(10-17)8-9-14(16)18/h4-7,11,17H,8-10H2,1-3H3/t11-/m1/s1
InChIKeyWQQZLXFPUVZDCC-LLVKDONJSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-(2-tert-butylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-1-(2-tert-butylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one (CID 101074916) is (5R)-1-(2-tert-butylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-(2-tert-butylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-1-(2-tert-butylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one is CC(C)(C)c1ccccc1N1C(=O)CC[C@@H]1CO.
What is the InChIKey of (5R)-1-(2-tert-butylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is WQQZLXFPUVZDCC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)12-6-4-5-7-13(12)16-11(10-17)8-9-14(16)18/h4-7,11,17H,8-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (5R)-1-(2-tert-butylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one?
(5R)-1-(2-tert-butylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(2-tert-butylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 101074916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).