1-benzyl-5-hydroxy-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one

C17H23NO2Si — CID 15486530

IUPAC1-benzyl-5-hydroxy-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one
SMILESC[Si](C)(C)C#CCC1(O)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H23NO2Si/c1-21(2,3)13-7-11-17(20)12-10-16(19)18(17)14-15-8-5-4-6-9-15/h4-6,8-9,20H,10-12,14H2,1-3H3
InChIKeyWJFWKHAQICLXDY-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.77
Rot. Bonds3

About 1-benzyl-5-hydroxy-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one

1-benzyl-5-hydroxy-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one (PubChem CID 15486530) has the molecular formula C17H23NO2Si and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-benzyl-5-hydroxy-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-hydroxy-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one
PubChem CID15486530
Molecular FormulaC17H23NO2Si
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name1-benzyl-5-hydroxy-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one
SMILESC[Si](C)(C)C#CCC1(O)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H23NO2Si/c1-21(2,3)13-7-11-17(20)12-10-16(19)18(17)14-15-8-5-4-6-9-15/h4-6,8-9,20H,10-12,14H2,1-3H3
InChIKeyWJFWKHAQICLXDY-UHFFFAOYSA-N
XLogP2.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-5-(difluoromethyl)-5-hydroxypyrrolidin-2-one
CID 42646403
1-Benzyl-5-ethenyl-5-hydroxypyrrolidin-2-one
CID 11252934
1-Benzyl-5-hydroxy-5-methylpyrrolidin-2-one
CID 19969531
(5S)-1-benzyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one
CID 40630699
1-Benzyl-5-tert-butylperoxy-5-ethenylpyrrolidin-2-one
CID 10957188
1-Benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one
CID 13258743
1-Benzyl-5-butyl-5-hydroxypyrrolidin-2-one
CID 71378859
1-Benzyl-5-ethyl-5-hydroxypyrrolidin-2-one
CID 86101216
(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one
CID 101212292
(4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one
CID 101212296
(4R,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-5-propan-2-ylpyrrolidin-2-one
CID 134945483
1-Benzyl-5-hydroxy-5-methyl-3,4-dihydropyrrol-3-ylium-2-one
CID 135014096

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-hydroxy-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-hydroxy-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one (CID 15486530) is 1-benzyl-5-hydroxy-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-hydroxy-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-hydroxy-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one is C[Si](C)(C)C#CCC1(O)CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-hydroxy-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one?
The InChIKey is WJFWKHAQICLXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2Si/c1-21(2,3)13-7-11-17(20)12-10-16(19)18(17)14-15-8-5-4-6-9-15/h4-6,8-9,20H,10-12,14H2,1-3H3.
What are the key properties of 1-benzyl-5-hydroxy-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one?
1-benzyl-5-hydroxy-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one has a molecular weight of 301.46 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-hydroxy-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one is sourced from PubChem (CID 15486530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).