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

C21H35NO2Si — CID 138981266

IUPAC(5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H](CCCc1ccccc1)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C21H35NO2Si/c1-21(2,3)25(4,5)24-19(16-18-14-15-20(23)22-18)13-9-12-17-10-7-6-8-11-17/h6-8,10-11,18-19H,9,12-16H2,1-5H3,(H,22,23)/t18-,19+/m0/s1
InChIKeyYQIZAZCZYFTFIW-RBUKOAKNSA-N
MW361.60 g/mol
LogP5.07
Rot. Bonds8

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

(5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]pyrrolidin-2-one (PubChem CID 138981266) has the molecular formula C21H35NO2Si and a molecular weight of 361.60 g/mol. Its IUPAC name is (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]pyrrolidin-2-one
PubChem CID138981266
Molecular FormulaC21H35NO2Si
Molecular Weight361.60 g/mol
Exact Mass361.24
IUPAC Name(5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H](CCCc1ccccc1)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C21H35NO2Si/c1-21(2,3)25(4,5)24-19(16-18-14-15-20(23)22-18)13-9-12-17-10-7-6-8-11-17/h6-8,10-11,18-19H,9,12-16H2,1-5H3,(H,22,23)/t18-,19+/m0/s1
InChIKeyYQIZAZCZYFTFIW-RBUKOAKNSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.60
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]pyrrolidin-2-one (CID 138981266) is (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)O[C@H](CCCc1ccccc1)C[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]pyrrolidin-2-one?
The InChIKey is YQIZAZCZYFTFIW-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H35NO2Si/c1-21(2,3)25(4,5)24-19(16-18-14-15-20(23)22-18)13-9-12-17-10-7-6-8-11-17/h6-8,10-11,18-19H,9,12-16H2,1-5H3,(H,22,23)/t18-,19+/m0/s1.
What are the key properties of (5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]pyrrolidin-2-one?
(5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]pyrrolidin-2-one has a molecular weight of 361.60 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 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]pyrrolidin-2-one is sourced from PubChem (CID 138981266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).