(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one

C15H23NO3Si — CID 10851289

IUPAC(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one
SMILESC[C@@H](O)[C@@H]1C(=O)N[C@H](CO)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H23NO3Si/c1-10(18)13-14(12(9-17)16-15(13)19)20(2,3)11-7-5-4-6-8-11/h4-8,10,12-14,17-18H,9H2,1-3H3,(H,16,19)/t10-,12-,13+,14-/m1/s1
InChIKeyHGQYMVWSFAXUEY-RUZUBIRVSA-N
MW293.44 g/mol
LogP0.46
Rot. Bonds4

About (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one

(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 10851289) has the molecular formula C15H23NO3Si and a molecular weight of 293.44 g/mol. Its IUPAC name is (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID10851289
Molecular FormulaC15H23NO3Si
Molecular Weight293.44 g/mol
Exact Mass293.14
IUPAC Name(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one
SMILESC[C@@H](O)[C@@H]1C(=O)N[C@H](CO)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H23NO3Si/c1-10(18)13-14(12(9-17)16-15(13)19)20(2,3)11-7-5-4-6-8-11/h4-8,10,12-14,17-18H,9H2,1-3H3,(H,16,19)/t10-,12-,13+,14-/m1/s1
InChIKeyHGQYMVWSFAXUEY-RUZUBIRVSA-N
XLogP0.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 10495893
(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
CID 11003169
(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
CID 11760411
1-Benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one
CID 19900152
(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 57535677
(5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 68018634
(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]pyrrolidin-2-one
CID 10502940
(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one
CID 10597548
tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate
CID 10839353

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one (CID 10851289) is (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one is C[C@@H](O)[C@@H]1C(=O)N[C@H](CO)[C@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is HGQYMVWSFAXUEY-RUZUBIRVSA-N. The full InChI is InChI=1S/C15H23NO3Si/c1-10(18)13-14(12(9-17)16-15(13)19)20(2,3)11-7-5-4-6-8-11/h4-8,10,12-14,17-18H,9H2,1-3H3,(H,16,19)/t10-,12-,13+,14-/m1/s1.
What are the key properties of (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one?
(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 293.44 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 10851289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).