1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one

C20H33NO3Si — CID 19900152

IUPAC1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one
SMILESCC(O)C1CC(CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C20H33NO3Si/c1-15(22)18-12-17(14-24-25(5,6)20(2,3)4)21(19(18)23)13-16-10-8-7-9-11-16/h7-11,15,17-18,22H,12-14H2,1-6H3
InChIKeyHXVMWLTWZGAEHX-UHFFFAOYSA-N
MW363.57 g/mol
LogP3.81
Rot. Bonds6

About 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one

1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one (PubChem CID 19900152) has the molecular formula C20H33NO3Si and a molecular weight of 363.57 g/mol. Its IUPAC name is 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one
PubChem CID19900152
Molecular FormulaC20H33NO3Si
Molecular Weight363.57 g/mol
Exact Mass363.22
IUPAC Name1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one
SMILESCC(O)C1CC(CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C20H33NO3Si/c1-15(22)18-12-17(14-24-25(5,6)20(2,3)4)21(19(18)23)13-16-10-8-7-9-11-16/h7-11,15,17-18,22H,12-14H2,1-6H3
InChIKeyHXVMWLTWZGAEHX-UHFFFAOYSA-N
XLogP3.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.57
LogP ≤ 53.81
H-Bond Donors ≤ 51
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*)-5-allyl-1-benzyl-3,4-bis(tert-butyldimethylsilyloxy)-2-pyrrolidinone
CID 10412681
(S)-1-Benzyl-5-(((tert-butyldimethylsilyl)oxy)methyl)pyrrolidin-2-one
CID 10881725
(4R)-4-benzyl-3-[(2R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11112627
(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxypyrrolidin-2-one
CID 10095360
(3R,4S,5R)-1-benzyl-4-hydroxy-3,5-dimethylpyrrolidin-2-one
CID 10751347
(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 10851289
(2S,3S)-3-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal
CID 11762719
(3S,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxypyrrolidin-2-one
CID 100944920
(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one
CID 101212292
(4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one
CID 101212296
(4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpyrrolidin-2-one
CID 101212310
(4S,5S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidin-2-one
CID 102012892

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one (CID 19900152) is 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one is CC(O)C1CC(CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one?
The InChIKey is HXVMWLTWZGAEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3Si/c1-15(22)18-12-17(14-24-25(5,6)20(2,3)4)21(19(18)23)13-16-10-8-7-9-11-16/h7-11,15,17-18,22H,12-14H2,1-6H3.
What are the key properties of 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one?
1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one has a molecular weight of 363.57 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 19900152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).