(3S,4S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one

C18H29NO2Si — CID 11522613

IUPAC(3S,4S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one
SMILESC[C@H]1CN(Cc2ccccc2)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H29NO2Si/c1-14-12-19(13-15-10-8-7-9-11-15)17(20)16(14)21-22(5,6)18(2,3)4/h7-11,14,16H,12-13H2,1-6H3/t14-,16-/m0/s1
InChIKeyNMFXWQDIEDRNQV-HOCLYGCPSA-N
MW319.52 g/mol
LogP4.06
Rot. Bonds4

About (3S,4S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one

(3S,4S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one (PubChem CID 11522613) has the molecular formula C18H29NO2Si and a molecular weight of 319.52 g/mol. Its IUPAC name is (3S,4S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one
PubChem CID11522613
Molecular FormulaC18H29NO2Si
Molecular Weight319.52 g/mol
Exact Mass319.20
IUPAC Name(3S,4S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one
SMILESC[C@H]1CN(Cc2ccccc2)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H29NO2Si/c1-14-12-19(13-15-10-8-7-9-11-15)17(20)16(14)21-22(5,6)18(2,3)4/h7-11,14,16H,12-13H2,1-6H3/t14-,16-/m0/s1
InChIKeyNMFXWQDIEDRNQV-HOCLYGCPSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-3-hydroxypyrrolidin-2-one
CID 219255
(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 10072426
(3R*,4S*,5R*)-5-allyl-1-benzyl-3,4-bis(tert-butyldimethylsilyloxy)-2-pyrrolidinone
CID 10412681
1-Benzyl-3,3-dimethoxy-2-pyrrolidinone
CID 393285
4-(S)-fluoromethyl-3-(R)-hydroxy-N-[1-(R)-phenylethyl]-2-pyrrolidone
CID 10585948
4-(Fluoromethyl)-3-hydroxy-1-(1-phenylethyl)pyrrolidin-2-one
CID 18762941
4-(fluoromethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 69944666
(S)-3-((tert-butyldimethylsilyl)oxy)-1-(4-(difluoromethyl)benzyl)pyrrolidin-2-one
CID 123626683
(3R,4S)-1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one
CID 137480540
(3S,4R)-1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one
CID 137480541
1-Benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one
CID 137480543
[1-Benzyl-4-(fluoromethyl)-2-oxopyrrolidin-3-yl] methanesulfonate
CID 137480573

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one?
The IUPAC name of (3S,4S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one (CID 11522613) is (3S,4S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one.
What is the SMILES notation for (3S,4S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one?
The canonical SMILES for (3S,4S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one is C[C@H]1CN(Cc2ccccc2)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one?
The InChIKey is NMFXWQDIEDRNQV-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H29NO2Si/c1-14-12-19(13-15-10-8-7-9-11-15)17(20)16(14)21-22(5,6)18(2,3)4/h7-11,14,16H,12-13H2,1-6H3/t14-,16-/m0/s1.
What are the key properties of (3S,4S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one?
(3S,4S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one has a molecular weight of 319.52 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one is sourced from PubChem (CID 11522613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).