(3S,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one

C18H19NO3 — CID 10286272

IUPAC(3S,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
SMILESCN1C(=O)[C@@H](O)[C@@H](c2ccccc2)[C@@H]1[C@@H](O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-19-15(16(20)13-10-6-3-7-11-13)14(17(21)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3/t14-,15+,16-,17-/m0/s1
InChIKeyWGYGSZOQGYRGIP-YVSFHVDLSA-N
MW297.35 g/mol
LogP1.71
Rot. Bonds3

About (3S,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one

(3S,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one (PubChem CID 10286272) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (3S,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
PubChem CID10286272
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(3S,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
SMILESCN1C(=O)[C@@H](O)[C@@H](c2ccccc2)[C@@H]1[C@@H](O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-19-15(16(20)13-10-6-3-7-11-13)14(17(21)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3/t14-,15+,16-,17-/m0/s1
InChIKeyWGYGSZOQGYRGIP-YVSFHVDLSA-N
XLogP1.71
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
CID 13592840
Secoclausenamide
CID 10424832
(+/-)-Clausenamide
CID 5315946
[1-(2,2-Dimethylpropanoyl)-2-pyrrolidinyl](diphenyl)methanol
CID 6544420
(4R,5R)-5-((S)-1-Hydroxy-3-p-tolyl-prop-2-ynyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397756
(4R,5R)-5-[(S)-Hydroxy-(3-methoxy-phenyl)-methyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397793
(4R,5R)-5-((S)-1-Hydroxy-3-phenyl-prop-2-ynyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397794
(4R,5R)-5-[(S)-(3-Chloro-phenyl)-hydroxy-methyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397830
(4R,5R)-5-[(S)-Hydroxy-(3-trifluoromethyl-phenyl)-methyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397898
(4R,5R)-5-[(S)-3-(4-Fluoro-phenyl)-1-hydroxy-prop-2-ynyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397919
(4R,5R)-5-((S)-Biphenyl-3-yl-hydroxy-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397951
(4R,5R)-5-[(S)-3-(2-Fluoro-phenyl)-1-hydroxy-prop-2-ynyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397973

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one?
The IUPAC name of (3S,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one (CID 10286272) is (3S,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one?
The canonical SMILES for (3S,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one is CN1C(=O)[C@@H](O)[C@@H](c2ccccc2)[C@@H]1[C@@H](O)c1ccccc1.
What is the InChIKey of (3S,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one?
The InChIKey is WGYGSZOQGYRGIP-YVSFHVDLSA-N. The full InChI is InChI=1S/C18H19NO3/c1-19-15(16(20)13-10-6-3-7-11-13)14(17(21)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3/t14-,15+,16-,17-/m0/s1.
What are the key properties of (3S,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one?
(3S,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one has a molecular weight of 297.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 10286272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).