(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one

C21H27NO2Si — CID 171692281

IUPAC(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one
SMILESCN1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O
InChIInChI=1S/C21H27NO2Si/c1-21(2,3)25(18-11-7-5-8-12-18,19-13-9-6-10-14-19)24-17-15-20(23)22(4)16-17/h5-14,17H,15-16H2,1-4H3/t17-/m0/s1
InChIKeyFENKZTWUMYJZDR-KRWDZBQOSA-N
MW353.54 g/mol
LogP2.79
Rot. Bonds4

About (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one

(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one (PubChem CID 171692281) has the molecular formula C21H27NO2Si and a molecular weight of 353.54 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one
PubChem CID171692281
Molecular FormulaC21H27NO2Si
Molecular Weight353.54 g/mol
Exact Mass353.18
IUPAC Name(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one
SMILESCN1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O
InChIInChI=1S/C21H27NO2Si/c1-21(2,3)25(18-11-7-5-8-12-18,19-13-9-6-10-14-19)24-17-15-20(23)22(4)16-17/h5-14,17H,15-16H2,1-4H3/t17-/m0/s1
InChIKeyFENKZTWUMYJZDR-KRWDZBQOSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 52.79
H-Bond Donors ≤ 50
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 (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one (CID 171692281) is (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one is CN1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O.
What is the InChIKey of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one?
The InChIKey is FENKZTWUMYJZDR-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27NO2Si/c1-21(2,3)25(18-11-7-5-8-12-18,19-13-9-6-10-14-19)24-17-15-20(23)22(4)16-17/h5-14,17H,15-16H2,1-4H3/t17-/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one?
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one has a molecular weight of 353.54 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 171692281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).