[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate

C14H17NO3 — CID 901702

IUPAC[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
SMILESCC(=O)O[C@@H](C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-11(16)18-13(12-7-3-2-4-8-12)14(17)15-9-5-6-10-15/h2-4,7-8,13H,5-6,9-10H2,1H3/t13-/m1/s1
InChIKeyGWYDONMVCVYYES-CYBMUJFWSA-N
MW247.29 g/mol
LogP1.91
Rot. Bonds3

About [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate

[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate (PubChem CID 901702) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate.

Molecular Properties

Compound Name[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
PubChem CID901702
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
SMILESCC(=O)O[C@@H](C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-11(16)18-13(12-7-3-2-4-8-12)14(17)15-9-5-6-10-15/h2-4,7-8,13H,5-6,9-10H2,1H3/t13-/m1/s1
InChIKeyGWYDONMVCVYYES-CYBMUJFWSA-N
XLogP1.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 2930820
[(1R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 7272419
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylfuran-3-carboxylate
CID 8515014
[(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate
CID 7282772
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate
CID 9412619
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-(acetamidomethyl)benzoate
CID 18199550
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate
CID 24520609
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate
CID 18198886
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2,5-dimethylbenzoate
CID 7699703
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-hydroxy-5-methoxybenzoate
CID 7716245

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate?
The IUPAC name of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate (CID 901702) is [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate.
What is the SMILES notation for [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate?
The canonical SMILES for [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate is CC(=O)O[C@@H](C(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate?
The InChIKey is GWYDONMVCVYYES-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17NO3/c1-11(16)18-13(12-7-3-2-4-8-12)14(17)15-9-5-6-10-15/h2-4,7-8,13H,5-6,9-10H2,1H3/t13-/m1/s1.
What are the key properties of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate?
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate has a molecular weight of 247.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate is sourced from PubChem (CID 901702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).