1-[3-hydroxy-3-[methyl(diphenyl)silyl]propyl]pyrrolidin-2-one

C20H25NO2Si — CID 11046069

IUPAC1-[3-hydroxy-3-[methyl(diphenyl)silyl]propyl]pyrrolidin-2-one
SMILESC[Si](c1ccccc1)(c1ccccc1)C(O)CCN1CCCC1=O
InChIInChI=1S/C20H25NO2Si/c1-24(17-9-4-2-5-10-17,18-11-6-3-7-12-18)20(23)14-16-21-15-8-13-19(21)22/h2-7,9-12,20,23H,8,13-16H2,1H3
InChIKeyNJKMTSTZJVHMKV-UHFFFAOYSA-N
MW339.51 g/mol
LogP1.79
Rot. Bonds6

About 1-[3-hydroxy-3-[methyl(diphenyl)silyl]propyl]pyrrolidin-2-one

1-[3-hydroxy-3-[methyl(diphenyl)silyl]propyl]pyrrolidin-2-one (PubChem CID 11046069) has the molecular formula C20H25NO2Si and a molecular weight of 339.51 g/mol. Its IUPAC name is 1-[3-hydroxy-3-[methyl(diphenyl)silyl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-hydroxy-3-[methyl(diphenyl)silyl]propyl]pyrrolidin-2-one
PubChem CID11046069
Molecular FormulaC20H25NO2Si
Molecular Weight339.51 g/mol
Exact Mass339.17
IUPAC Name1-[3-hydroxy-3-[methyl(diphenyl)silyl]propyl]pyrrolidin-2-one
SMILESC[Si](c1ccccc1)(c1ccccc1)C(O)CCN1CCCC1=O
InChIInChI=1S/C20H25NO2Si/c1-24(17-9-4-2-5-10-17,18-11-6-3-7-12-18)20(23)14-16-21-15-8-13-19(21)22/h2-7,9-12,20,23H,8,13-16H2,1H3
InChIKeyNJKMTSTZJVHMKV-UHFFFAOYSA-N
XLogP1.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 51.79
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 1-[3-hydroxy-3-[methyl(diphenyl)silyl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-hydroxy-3-[methyl(diphenyl)silyl]propyl]pyrrolidin-2-one (CID 11046069) is 1-[3-hydroxy-3-[methyl(diphenyl)silyl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-hydroxy-3-[methyl(diphenyl)silyl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-hydroxy-3-[methyl(diphenyl)silyl]propyl]pyrrolidin-2-one is C[Si](c1ccccc1)(c1ccccc1)C(O)CCN1CCCC1=O.
What is the InChIKey of 1-[3-hydroxy-3-[methyl(diphenyl)silyl]propyl]pyrrolidin-2-one?
The InChIKey is NJKMTSTZJVHMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2Si/c1-24(17-9-4-2-5-10-17,18-11-6-3-7-12-18)20(23)14-16-21-15-8-13-19(21)22/h2-7,9-12,20,23H,8,13-16H2,1H3.
What are the key properties of 1-[3-hydroxy-3-[methyl(diphenyl)silyl]propyl]pyrrolidin-2-one?
1-[3-hydroxy-3-[methyl(diphenyl)silyl]propyl]pyrrolidin-2-one has a molecular weight of 339.51 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-[methyl(diphenyl)silyl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 11046069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).