(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one

C18H29NO2Si — CID 135019763

IUPAC(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](c2ccccc2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H29NO2Si/c1-18(2,3)22(5,6)21-13-16-15(12-17(20)19(16)4)14-10-8-7-9-11-14/h7-11,15-16H,12-13H2,1-6H3/t15-,16+/m0/s1
InChIKeyFMLBDVITJBJPMP-JKSUJKDBSA-N
MW319.52 g/mol
LogP4.02
Rot. Bonds4

About (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one

(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one (PubChem CID 135019763) has the molecular formula C18H29NO2Si and a molecular weight of 319.52 g/mol. Its IUPAC name is (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one
PubChem CID135019763
Molecular FormulaC18H29NO2Si
Molecular Weight319.52 g/mol
Exact Mass319.20
IUPAC Name(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](c2ccccc2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H29NO2Si/c1-18(2,3)22(5,6)21-13-16-15(12-17(20)19(16)4)14-10-8-7-9-11-14/h7-11,15-16H,12-13H2,1-6H3/t15-,16+/m0/s1
InChIKeyFMLBDVITJBJPMP-JKSUJKDBSA-N
XLogP4.02
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 ≤ 54.02
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

(4R,5R)-5-((S)-1-Hydroxy-3-phenyl-propyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397916
(4R,5R)-5-((S)-1-Hydroxy-2,2-dimethyl-propyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397735
(4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one
CID 14935662
(4R)-4-benzyl-3-[(2R,3E)-2-benzyl-5-(trimethylsilyl)pent-3-enoyl]-1,3-oxazolidin-2-one
CID 11495484
(4R,5R)-5-(hydroxymethyl)-1-methyl-4-phenylpyrrolidin-2-one
CID 13825981
(4S,5S)-5-(Hydroxymethyl)-1-methyl-4-phenyl-2-pyrrolidinone
CID 13825982
(4R)-4-benzyl-3-[(2R,3E)-2-methyl-5-(trimethylsilyl)pent-3-enoyl]-1,3-oxazolidin-2-one
CID 57801802
1-(2,5-Dimethyl-3-phenylpyrrolidin-1-yl)-2-(oxan-4-yl)propan-1-one
CID 122138238
4-(2-Fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one
CID 22677650
(4R,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one
CID 59066516
(4S,5S)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one
CID 69890998
(4S,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one
CID 90907867

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one?
The IUPAC name of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one (CID 135019763) is (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one?
The canonical SMILES for (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one is CN1C(=O)C[C@@H](c2ccccc2)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one?
The InChIKey is FMLBDVITJBJPMP-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H29NO2Si/c1-18(2,3)22(5,6)21-13-16-15(12-17(20)19(16)4)14-10-8-7-9-11-14/h7-11,15-16H,12-13H2,1-6H3/t15-,16+/m0/s1.
What are the key properties of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one?
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one has a molecular weight of 319.52 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 135019763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).