(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylfuran-2-one

C17H21NO3 — CID 101257150

IUPAC(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylfuran-2-one
SMILESC[C@]1([C@H](O)Cc2ccccc2)OC(=O)C=C1N1CCCC1
InChIInChI=1S/C17H21NO3/c1-17(15(19)11-13-7-3-2-4-8-13)14(12-16(20)21-17)18-9-5-6-10-18/h2-4,7-8,12,15,19H,5-6,9-11H2,1H3/t15-,17+/m1/s1
InChIKeyHVVMYTOTDSRJQT-WBVHZDCISA-N
MW287.36 g/mol
LogP1.89
Rot. Bonds4

About (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylfuran-2-one

(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylfuran-2-one (PubChem CID 101257150) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylfuran-2-one.

Molecular Properties

Compound Name(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylfuran-2-one
PubChem CID101257150
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylfuran-2-one
SMILESC[C@]1([C@H](O)Cc2ccccc2)OC(=O)C=C1N1CCCC1
InChIInChI=1S/C17H21NO3/c1-17(15(19)11-13-7-3-2-4-8-13)14(12-16(20)21-17)18-9-5-6-10-18/h2-4,7-8,12,15,19H,5-6,9-11H2,1H3/t15-,17+/m1/s1
InChIKeyHVVMYTOTDSRJQT-WBVHZDCISA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11780245
2-(3,3-dimethyl-1-phenylbutan-2-yl)-2-ethyl-4-hydroxy-3H-pyran-6-one
CID 173319078
2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride
CID 70255948
1-[1-(dimethylamino)cyclopentyl]-2-phenylethanol
CID 79067226
2-phenyl-1-(1-phenylcyclopentyl)ethanol
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(3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol
CID 142207135
1-(1-methoxycyclobutyl)-2-phenylethanol
CID 116710482
6-(2-hydroxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 6710162
(1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate
CID 151786501
3-(azepan-1-yl)-3-methyl-1-phenylbutan-2-ol
CID 79052263
6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 15062403
(4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10937055

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylfuran-2-one?
The IUPAC name of (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylfuran-2-one (CID 101257150) is (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylfuran-2-one.
What is the SMILES notation for (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylfuran-2-one?
The canonical SMILES for (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylfuran-2-one is C[C@]1([C@H](O)Cc2ccccc2)OC(=O)C=C1N1CCCC1.
What is the InChIKey of (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylfuran-2-one?
The InChIKey is HVVMYTOTDSRJQT-WBVHZDCISA-N. The full InChI is InChI=1S/C17H21NO3/c1-17(15(19)11-13-7-3-2-4-8-13)14(12-16(20)21-17)18-9-5-6-10-18/h2-4,7-8,12,15,19H,5-6,9-11H2,1H3/t15-,17+/m1/s1.
What are the key properties of (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylfuran-2-one?
(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylfuran-2-one has a molecular weight of 287.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylfuran-2-one is sourced from PubChem (CID 101257150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).