(5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one

C24H31NO2Si — CID 135013759

IUPAC(5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one
SMILESC=CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCC(=O)N1
InChIInChI=1S/C24H31NO2Si/c1-5-12-22(21-17-18-23(26)25-21)27-28(24(2,3)4,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h5-11,13-16,21-22H,1,12,17-18H2,2-4H3,(H,25,26)/t21-,22+/m0/s1
InChIKeyWNBSDEPFLWSRMI-FCHUYYIVSA-N
MW393.60 g/mol
LogP3.79
Rot. Bonds7

About (5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one

(5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one (PubChem CID 135013759) has the molecular formula C24H31NO2Si and a molecular weight of 393.60 g/mol. Its IUPAC name is (5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one
PubChem CID135013759
Molecular FormulaC24H31NO2Si
Molecular Weight393.60 g/mol
Exact Mass393.21
IUPAC Name(5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one
SMILESC=CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCC(=O)N1
InChIInChI=1S/C24H31NO2Si/c1-5-12-22(21-17-18-23(26)25-21)27-28(24(2,3)4,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h5-11,13-16,21-22H,1,12,17-18H2,2-4H3,(H,25,26)/t21-,22+/m0/s1
InChIKeyWNBSDEPFLWSRMI-FCHUYYIVSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.60
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-5-(((tert-Butyldiphenylsilyl)oxy)methyl)pyrrolidin-2-one
CID 10882735
(3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one
CID 163935108
(5R)-5-[(tert-Butyldiphenylsilyloxy)methyl]pyrrolidine-2-one
CID 10948196
(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
CID 11003169
(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one
CID 45103028
(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
CID 11760411
(4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-one
CID 16742491
N-[1-[[[(1,1-Dimethylethyl)diphenylsilyl]oxy]methyl]-2-hydroxybutyl]Heptanamide
CID 54199636
N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide
CID 57070793
N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide
CID 57206099
(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 57535677
5-(tert-Butyldiphenylsiloxymethyl)pyrrolidine-2-one
CID 58011546

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one (CID 135013759) is (5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one is C=CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one?
The InChIKey is WNBSDEPFLWSRMI-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H31NO2Si/c1-5-12-22(21-17-18-23(26)25-21)27-28(24(2,3)4,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h5-11,13-16,21-22H,1,12,17-18H2,2-4H3,(H,25,26)/t21-,22+/m0/s1.
What are the key properties of (5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one?
(5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one has a molecular weight of 393.60 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one is sourced from PubChem (CID 135013759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).