(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one

C23H31NO2Si — CID 151268860

IUPAC(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one
SMILESCC[C@@H]1CC(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H31NO2Si/c1-5-18-16-22(25)24-21(18)17-26-27(23(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,5,16-17H2,1-4H3,(H,24,25)/t18-,21-/m1/s1
InChIKeyNVXPPBJTSHUMEF-WIYYLYMNSA-N
MW381.59 g/mol
LogP3.48
Rot. Bonds6

About (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one

(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one (PubChem CID 151268860) has the molecular formula C23H31NO2Si and a molecular weight of 381.59 g/mol. Its IUPAC name is (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one
PubChem CID151268860
Molecular FormulaC23H31NO2Si
Molecular Weight381.59 g/mol
Exact Mass381.21
IUPAC Name(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one
SMILESCC[C@@H]1CC(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H31NO2Si/c1-5-18-16-22(25)24-21(18)17-26-27(23(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,5,16-17H2,1-4H3,(H,24,25)/t18-,21-/m1/s1
InChIKeyNVXPPBJTSHUMEF-WIYYLYMNSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.59
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one (CID 151268860) is (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one is CC[C@@H]1CC(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one?
The InChIKey is NVXPPBJTSHUMEF-WIYYLYMNSA-N. The full InChI is InChI=1S/C23H31NO2Si/c1-5-18-16-22(25)24-21(18)17-26-27(23(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,5,16-17H2,1-4H3,(H,24,25)/t18-,21-/m1/s1.
What are the key properties of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one?
(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one has a molecular weight of 381.59 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one is sourced from PubChem (CID 151268860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).