3-hydroxy-1-methyl-5-(trifluoromethyl)-3-(2-trimethylsilylethynyl)pyrrolidin-2-one

C11H16F3NO2Si — CID 170573404

IUPAC3-hydroxy-1-methyl-5-(trifluoromethyl)-3-(2-trimethylsilylethynyl)pyrrolidin-2-one
SMILESCN1C(=O)C(O)(C#C[Si](C)(C)C)CC1C(F)(F)F
InChIInChI=1S/C11H16F3NO2Si/c1-15-8(11(12,13)14)7-10(17,9(15)16)5-6-18(2,3)4/h8,17H,7H2,1-4H3
InChIKeyNRPSOULQKMJZTC-UHFFFAOYSA-N
MW279.33 g/mol
LogP1.39
Rot. Bonds

About 3-hydroxy-1-methyl-5-(trifluoromethyl)-3-(2-trimethylsilylethynyl)pyrrolidin-2-one

3-hydroxy-1-methyl-5-(trifluoromethyl)-3-(2-trimethylsilylethynyl)pyrrolidin-2-one (PubChem CID 170573404) has the molecular formula C11H16F3NO2Si and a molecular weight of 279.33 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-5-(trifluoromethyl)-3-(2-trimethylsilylethynyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-5-(trifluoromethyl)-3-(2-trimethylsilylethynyl)pyrrolidin-2-one
PubChem CID170573404
Molecular FormulaC11H16F3NO2Si
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC Name3-hydroxy-1-methyl-5-(trifluoromethyl)-3-(2-trimethylsilylethynyl)pyrrolidin-2-one
SMILESCN1C(=O)C(O)(C#C[Si](C)(C)C)CC1C(F)(F)F
InChIInChI=1S/C11H16F3NO2Si/c1-15-8(11(12,13)14)7-10(17,9(15)16)5-6-18(2,3)4/h8,17H,7H2,1-4H3
InChIKeyNRPSOULQKMJZTC-UHFFFAOYSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-5-(trifluoromethyl)-3-(2-trimethylsilylethynyl)pyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1-methyl-5-(trifluoromethyl)-3-(2-trimethylsilylethynyl)pyrrolidin-2-one (CID 170573404) is 3-hydroxy-1-methyl-5-(trifluoromethyl)-3-(2-trimethylsilylethynyl)pyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-5-(trifluoromethyl)-3-(2-trimethylsilylethynyl)pyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-5-(trifluoromethyl)-3-(2-trimethylsilylethynyl)pyrrolidin-2-one is CN1C(=O)C(O)(C#C[Si](C)(C)C)CC1C(F)(F)F.
What is the InChIKey of 3-hydroxy-1-methyl-5-(trifluoromethyl)-3-(2-trimethylsilylethynyl)pyrrolidin-2-one?
The InChIKey is NRPSOULQKMJZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2Si/c1-15-8(11(12,13)14)7-10(17,9(15)16)5-6-18(2,3)4/h8,17H,7H2,1-4H3.
What are the key properties of 3-hydroxy-1-methyl-5-(trifluoromethyl)-3-(2-trimethylsilylethynyl)pyrrolidin-2-one?
3-hydroxy-1-methyl-5-(trifluoromethyl)-3-(2-trimethylsilylethynyl)pyrrolidin-2-one has a molecular weight of 279.33 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-5-(trifluoromethyl)-3-(2-trimethylsilylethynyl)pyrrolidin-2-one is sourced from PubChem (CID 170573404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).