(5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-1-methylpyrrolidin-2-one

C22H37NO2Si — CID 138981267

IUPAC(5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC[C@H]1C[C@@H](CCCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H37NO2Si/c1-22(2,3)26(5,6)25-20(17-19-15-16-21(24)23(19)4)14-10-13-18-11-8-7-9-12-18/h7-9,11-12,19-20H,10,13-17H2,1-6H3/t19-,20+/m0/s1
InChIKeyNINMBKQXWKEZIM-VQTJNVASSA-N
MW375.63 g/mol
LogP5.41
Rot. Bonds8

About (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-1-methylpyrrolidin-2-one

(5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-1-methylpyrrolidin-2-one (PubChem CID 138981267) has the molecular formula C22H37NO2Si and a molecular weight of 375.63 g/mol. Its IUPAC name is (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-1-methylpyrrolidin-2-one
PubChem CID138981267
Molecular FormulaC22H37NO2Si
Molecular Weight375.63 g/mol
Exact Mass375.26
IUPAC Name(5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC[C@H]1C[C@@H](CCCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H37NO2Si/c1-22(2,3)26(5,6)25-20(17-19-15-16-21(24)23(19)4)14-10-13-18-11-8-7-9-12-18/h7-9,11-12,19-20H,10,13-17H2,1-6H3/t19-,20+/m0/s1
InChIKeyNINMBKQXWKEZIM-VQTJNVASSA-N
XLogP5.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.63
LogP ≤ 55.41
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

(3S,3aR,7aR)-3-benzyl-3a-methyl-4-tri(propan-2-yl)silyloxy-3,6,7,7a-tetrahydro-1H-indol-2-one
CID 386831
5-[3-(Tert-butyldimethyl-silanyloxy)-4-(3-fluoro-phenyl)-butyl]-pyrrolidin-2-one
CID 12970095
5-[3-(Tert-butyl-dimethyl-silanyloxy)-4-(3-trifluoromethyl-phenyl)-butyl]-pyrrolidin-2-one
CID 12970098
5-[3-(Tert-butyl-dimethyl-silanyloxy)4-(4-fluoro-phenyl)-butyl]-pyrrolidin-2-one
CID 22712520
7-{2-[3-(Tert-butyl-dimethyl-silanyloxy)-4-(3-fluoro-phenyl)-butyl]-5-oxo-pyrrolidin-1-yl}-heptanenitrile
CID 22718758
7-{2-[3-(Tert-butyl-dimethyl-silanyloxy)-4-(4-fluoro-phenyl)-butyl]-5-oxo-pyrrolidin-1-yl}-heptanenitrile
CID 22718768
(5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)but-1-enyl]-1-(2-iodoethyl)pyrrolidin-2-one
CID 57893906
(5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)but-1-enyl]-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 57894055
propan-2-yl 7-[(2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]heptanoate
CID 57912208
(5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)but-1-enyl]-1-propylpyrrolidin-2-one
CID 59146538
(5S)-5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-4-phenylbutyl]pyrrolidin-2-one
CID 60043929
propan-2-yl 7-[(2S)-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-4-phenylbutyl]-5-oxopyrrolidin-1-yl]heptanoate
CID 60043931

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-1-methylpyrrolidin-2-one?
The IUPAC name of (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-1-methylpyrrolidin-2-one (CID 138981267) is (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-1-methylpyrrolidin-2-one is CN1C(=O)CC[C@H]1C[C@@H](CCCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-1-methylpyrrolidin-2-one?
The InChIKey is NINMBKQXWKEZIM-VQTJNVASSA-N. The full InChI is InChI=1S/C22H37NO2Si/c1-22(2,3)26(5,6)25-20(17-19-15-16-21(24)23(19)4)14-10-13-18-11-8-7-9-12-18/h7-9,11-12,19-20H,10,13-17H2,1-6H3/t19-,20+/m0/s1.
What are the key properties of (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-1-methylpyrrolidin-2-one?
(5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-1-methylpyrrolidin-2-one has a molecular weight of 375.63 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 138981267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).