(5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one

C15H19NO3 — CID 163926040

IUPAC(5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(=O)c1ccc(CCN2C(=O)CC[C@@H]2CO)cc1
InChIInChI=1S/C15H19NO3/c1-11(18)13-4-2-12(3-5-13)8-9-16-14(10-17)6-7-15(16)19/h2-5,14,17H,6-10H2,1H3/t14-/m1/s1
InChIKeyREOFJXIFUKREDN-CQSZACIVSA-N
MW261.32 g/mol
LogP1.41
Rot. Bonds5

About (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one

(5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 163926040) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID163926040
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(=O)c1ccc(CCN2C(=O)CC[C@@H]2CO)cc1
InChIInChI=1S/C15H19NO3/c1-11(18)13-4-2-12(3-5-13)8-9-16-14(10-17)6-7-15(16)19/h2-5,14,17H,6-10H2,1H3/t14-/m1/s1
InChIKeyREOFJXIFUKREDN-CQSZACIVSA-N
XLogP1.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R,4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-phenylphenyl)ethanone
CID 66561478
2-[(2S,4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-phenylphenyl)ethanone
CID 66561479
(4-dodecylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 72735808
(4-dodecylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 72735809
US10214537, Example 145
CID 132220323
US10214537, Example 151
CID 132220330
(4R,5R)-5-((S)-1-Hydroxy-2,2-dimethyl-propyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397735
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 11096114
1-(4-Ethylbenzoyl)pyrrolidine-2-carboxylic acid
CID 16228250
(1-Benzoylpyrrolidin-2-yl)methanol
CID 11435665
2-Pyrrolidinemethanol, 1-benzoyl-, (2S)-
CID 12830794
N-(3-phenylpropionyl)-prolinol
CID 13632918

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one (CID 163926040) is (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one is CC(=O)c1ccc(CCN2C(=O)CC[C@@H]2CO)cc1.
What is the InChIKey of (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is REOFJXIFUKREDN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(18)13-4-2-12(3-5-13)8-9-16-14(10-17)6-7-15(16)19/h2-5,14,17H,6-10H2,1H3/t14-/m1/s1.
What are the key properties of (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one?
(5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[2-(4-acetylphenyl)ethyl]-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 163926040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).