(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one

C14H17NO2 — CID 71239800

IUPAC(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C14H17NO2/c1-11(16)13-9-14(17)15(10-13)8-7-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3/t13-/m1/s1
InChIKeyZCXQQBXJKXQTLW-CYBMUJFWSA-N
MW231.30 g/mol
LogP1.67
Rot. Bonds4

About (4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one

(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 71239800) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID71239800
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C14H17NO2/c1-11(16)13-9-14(17)15(10-13)8-7-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3/t13-/m1/s1
InChIKeyZCXQQBXJKXQTLW-CYBMUJFWSA-N
XLogP1.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
N-methyl-5-oxo-1-(2-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 86920305
N'-hydroxy-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboximidamide
CID 138111361
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
(2-amino-2-oxoethyl) (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898644
N-(2-methylbutan-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 53497922
(4-methylphenyl) 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 42997190
cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 71904507
5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide
CID 51151720
N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 111543092
phenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 47004107
5-oxo-1-(2-phenylethyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 51145908

Frequently Asked Questions

What is the IUPAC name of (4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one (CID 71239800) is (4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one is CC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of (4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is ZCXQQBXJKXQTLW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17NO2/c1-11(16)13-9-14(17)15(10-13)8-7-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one?
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 71239800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).