5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one

C13H17NO2 — CID 10536867

IUPAC5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C(=O)CC(c2ccccc2)C1O
InChIInChI=1S/C13H17NO2/c1-9(2)14-12(15)8-11(13(14)16)10-6-4-3-5-7-10/h3-7,9,11,13,16H,8H2,1-2H3
InChIKeyGJRMRWKFMGGAQY-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.73
Rot. Bonds2

About 5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one

5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one (PubChem CID 10536867) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one
PubChem CID10536867
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C(=O)CC(c2ccccc2)C1O
InChIInChI=1S/C13H17NO2/c1-9(2)14-12(15)8-11(13(14)16)10-6-4-3-5-7-10/h3-7,9,11,13,16H,8H2,1-2H3
InChIKeyGJRMRWKFMGGAQY-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-2-one
CID 134548886
(4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione
CID 162062174
4-oxo-1-propan-2-ylazetidine-2-carboxylic acid
CID 84650541
(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid
CID 139598441
2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 63379294
1,5-dimethyl-4-phenyl-3-propan-2-ylimidazolidin-2-one
CID 20685332
trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one
CID 100973232
(2S,3R)-1-[(2R)-butan-2-yl]-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 94217803
(2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid
CID 20672313
(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one
CID 15448194
6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
CID 59370437
2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79972285

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one (CID 10536867) is 5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one is CC(C)N1C(=O)CC(c2ccccc2)C1O.
What is the InChIKey of 5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is GJRMRWKFMGGAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)14-12(15)8-11(13(14)16)10-6-4-3-5-7-10/h3-7,9,11,13,16H,8H2,1-2H3.
What are the key properties of 5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one?
5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 10536867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).