(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one

C20H23NO3 — CID 11416114

IUPAC(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1cccc([C@]2(C)CCN([C@H](CO)c3ccccc3)C2=O)c1
InChIInChI=1S/C20H23NO3/c1-20(16-9-6-10-17(13-16)24-2)11-12-21(19(20)23)18(14-22)15-7-4-3-5-8-15/h3-10,13,18,22H,11-12,14H2,1-2H3/t18-,20+/m1/s1
InChIKeySSHJVYRDIBAFER-QUCCMNQESA-N
MW325.41 g/mol
LogP2.92
Rot. Bonds5

About (3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one

(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one (PubChem CID 11416114) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
PubChem CID11416114
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1cccc([C@]2(C)CCN([C@H](CO)c3ccccc3)C2=O)c1
InChIInChI=1S/C20H23NO3/c1-20(16-9-6-10-17(13-16)24-2)11-12-21(19(20)23)18(14-22)15-7-4-3-5-8-15/h3-10,13,18,22H,11-12,14H2,1-2H3/t18-,20+/m1/s1
InChIKeySSHJVYRDIBAFER-QUCCMNQESA-N
XLogP2.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
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2-(3-methoxyphenyl)-2-methylcyclopentan-1-one
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(5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
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3-[(1S)-1-(3-hydroxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one;3-[(1S)-1-(3-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one;sulfane
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2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
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1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)piperidin-3-ol
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1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone
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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one?
The IUPAC name of (3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one (CID 11416114) is (3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one is COc1cccc([C@]2(C)CCN([C@H](CO)c3ccccc3)C2=O)c1.
What is the InChIKey of (3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one?
The InChIKey is SSHJVYRDIBAFER-QUCCMNQESA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(16-9-6-10-17(13-16)24-2)11-12-21(19(20)23)18(14-22)15-7-4-3-5-8-15/h3-10,13,18,22H,11-12,14H2,1-2H3/t18-,20+/m1/s1.
What are the key properties of (3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one?
(3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one has a molecular weight of 325.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 11416114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).