(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one

C16H25NO2Si — CID 58839420

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(c2ccccc2)NC1=O
InChIInChI=1S/C16H25NO2Si/c1-16(2,3)20(4,5)19-14-11-13(17-15(14)18)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3,(H,17,18)/t13?,14-/m1/s1
InChIKeyOPGFYXUDHVSSSH-ARLHGKGLSA-N
MW291.47 g/mol
LogP3.64
Rot. Bonds3

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one (PubChem CID 58839420) has the molecular formula C16H25NO2Si and a molecular weight of 291.47 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
PubChem CID58839420
Molecular FormulaC16H25NO2Si
Molecular Weight291.47 g/mol
Exact Mass291.17
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(c2ccccc2)NC1=O
InChIInChI=1S/C16H25NO2Si/c1-16(2,3)20(4,5)19-14-11-13(17-15(14)18)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3,(H,17,18)/t13?,14-/m1/s1
InChIKeyOPGFYXUDHVSSSH-ARLHGKGLSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
(3R,4S)-3-[(Triethylsilyl)oxy]-4-phenyl-2-azetidinone
CID 10826417
(3R,4S)-3-Triisopropylsilyloxy-4-phenyl-2-azetidinone
CID 10936090
3-Hydroxy-5-phenylpyrrolidin-2-one
CID 13902038
(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
CID 14807861
(5R)-3-hydroxy-1-methyl-5-phenylpyrrolidin-2-one
CID 389093
5-[3-(Tert-butyldimethyl-silanyloxy)-4-(3-fluoro-phenyl)-butyl]-pyrrolidin-2-one
CID 12970095
5-[3-(Tert-butyl-dimethyl-silanyloxy)4-(4-fluoro-phenyl)-butyl]-pyrrolidin-2-one
CID 22712520
(3R,4S)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 57784905
(5S)-5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-4-phenylbutyl]pyrrolidin-2-one
CID 60043929
(2R,4R)-4-(tert-butyldimethylsilyloxy)-2-(3-fluorophenyl)pyrrolidine
CID 66684536
tert-butyl-[(3R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
CID 66685016

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one (CID 58839420) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1CC(c2ccccc2)NC1=O.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one?
The InChIKey is OPGFYXUDHVSSSH-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H25NO2Si/c1-16(2,3)20(4,5)19-14-11-13(17-15(14)18)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3,(H,17,18)/t13?,14-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one has a molecular weight of 291.47 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 58839420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).