(5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one

C16H23NO2 — CID 11276994

IUPAC(5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one
SMILESCCCC[C@H]1CCC(=O)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-2-3-9-14-10-11-16(19)17(14)15(12-18)13-7-5-4-6-8-13/h4-8,14-15,18H,2-3,9-12H2,1H3/t14-,15-/m0/s1
InChIKeyUYEHOKPYVBQOAP-GJZGRUSLSA-N
MW261.36 g/mol
LogP2.90
Rot. Bonds6

About (5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one

(5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one (PubChem CID 11276994) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one
PubChem CID11276994
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one
SMILESCCCC[C@H]1CCC(=O)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-2-3-9-14-10-11-16(19)17(14)15(12-18)13-7-5-4-6-8-13/h4-8,14-15,18H,2-3,9-12H2,1H3/t14-,15-/m0/s1
InChIKeyUYEHOKPYVBQOAP-GJZGRUSLSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one
CID 11357004
(5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one
CID 53349746
(2R)-2-[(4S)-4-butyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2-phenylethanol
CID 42600020
(2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol
CID 10636143
(5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one
CID 174483543
(5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one
CID 175215749
(6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one
CID 11402324
(5S,6S)-5-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-6-(1H-indol-3-yl)piperidin-2-one
CID 102254926
1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione
CID 71354940
(3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one
CID 11312471
methyl (2R,3S)-2-(benzylcarbamoyl)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-oxopiperidine-3-carboxylate
CID 71567821
(2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide
CID 11287921

Frequently Asked Questions

What is the IUPAC name of (5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one (CID 11276994) is (5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one is CCCC[C@H]1CCC(=O)N1[C@@H](CO)c1ccccc1.
What is the InChIKey of (5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is UYEHOKPYVBQOAP-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-9-14-10-11-16(19)17(14)15(12-18)13-7-5-4-6-8-13/h4-8,14-15,18H,2-3,9-12H2,1H3/t14-,15-/m0/s1.
What are the key properties of (5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one?
(5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 261.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 11276994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).