3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one

C15H21NO2 — CID 58335409

IUPAC3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CN([C@H](C)c2ccccc2)C(=O)C1O
InChIInChI=1S/C15H21NO2/c1-10(2)13-9-16(15(18)14(13)17)11(3)12-7-5-4-6-8-12/h4-8,10-11,13-14,17H,9H2,1-3H3/t11-,13?,14?/m1/s1
InChIKeyOXKZAPFYGSUVDA-LMWSTFAQSA-N
MW247.34 g/mol
LogP2.22
Rot. Bonds3

About 3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one

3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 58335409) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID58335409
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CN([C@H](C)c2ccccc2)C(=O)C1O
InChIInChI=1S/C15H21NO2/c1-10(2)13-9-16(15(18)14(13)17)11(3)12-7-5-4-6-8-12/h4-8,10-11,13-14,17H,9H2,1-3H3/t11-,13?,14?/m1/s1
InChIKeyOXKZAPFYGSUVDA-LMWSTFAQSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3S,4R)-4-hydroxy-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 69172643
5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one
CID 143715156
(3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 154429024
3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 142649009
(4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 99770501
(3S)-3-(hydroxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118420929
4-(hydroxymethyl)-1-[(1R)-1-phenylethyl]imidazolidin-2-one
CID 66713277
(3aS,6aS)-2-[(1R)-1-phenylethyl]-1,3a,4,6a-tetrahydrocyclopenta[c]pyrrol-3-one
CID 141213114
(1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one
CID 139095598
(3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one
CID 143715244
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448
3-(hydroxymethyl)-1-(1-phenylethyl)-4-prop-2-enylpyrrolidin-2-one
CID 143715115

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one (CID 58335409) is 3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one is CC(C)C1CN([C@H](C)c2ccccc2)C(=O)C1O.
What is the InChIKey of 3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is OXKZAPFYGSUVDA-LMWSTFAQSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)13-9-16(15(18)14(13)17)11(3)12-7-5-4-6-8-12/h4-8,10-11,13-14,17H,9H2,1-3H3/t11-,13?,14?/m1/s1.
What are the key properties of 3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one?
3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 58335409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).