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

C12H15NO2 — CID 10262358

IUPAC5-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)CCC1O
InChIInChI=1S/C12H15NO2/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-12(13)15/h2-6,9,11,14H,7-8H2,1H3/t9-,11?/m0/s1
InChIKeyDYQFVPOKBRZHKL-FTNKSUMCSA-N
MW205.26 g/mol
LogP1.69
Rot. Bonds2

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

5-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 10262358) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
PubChem CID10262358
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)CCC1O
InChIInChI=1S/C12H15NO2/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-12(13)15/h2-6,9,11,14H,7-8H2,1H3/t9-,11?/m0/s1
InChIKeyDYQFVPOKBRZHKL-FTNKSUMCSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
1-Benzyl-3-pyrrolidone
CID 79176
1-((4-Methylphenyl)methyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2742110
5-Oxo-1-(1-phenylethyl)-3-pyrrolidinecarboxylic acid
CID 616196
1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid
CID 99024
2,2-Dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 60723604
1-benzyl-5-hydroxy-3,4-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 3887391
2-Pyrrolidinone, 5-methoxy-1-(phenylmethyl)-, (+-)-
CID 3077957
2-Pyrrolidinone, 1-(phenylmethyl)-5-propoxy-, (+-)-
CID 3077959
2-Pyrrolidinone, 5-(1-methylethoxy)-1-(phenylmethyl)-, (+-)-
CID 3077960
1-Benzyl-5-butoxypyrrolidin-2-one
CID 3077961
1-Benzyl-5-(pentyloxy)pyrrolidin-2-one
CID 3077962

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (CID 10262358) is 5-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is C[C@@H](c1ccccc1)N1C(=O)CCC1O.
What is the InChIKey of 5-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is DYQFVPOKBRZHKL-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-12(13)15/h2-6,9,11,14H,7-8H2,1H3/t9-,11?/m0/s1.
What are the key properties of 5-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
5-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 10262358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).