2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile

C18H26N2O2Si — CID 15525698

IUPAC2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)N1c1ccccc1C#N
InChIInChI=1S/C18H26N2O2Si/c1-18(2,3)23(4,5)22-13-15-10-11-17(21)20(15)16-9-7-6-8-14(16)12-19/h6-9,15H,10-11,13H2,1-5H3/t15-/m0/s1
InChIKeyBUDZNYVCDHMGAF-HNNXBMFYSA-N
MW330.50 g/mol
LogP4.08
Rot. Bonds4

About 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile

2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile (PubChem CID 15525698) has the molecular formula C18H26N2O2Si and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile
PubChem CID15525698
Molecular FormulaC18H26N2O2Si
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)N1c1ccccc1C#N
InChIInChI=1S/C18H26N2O2Si/c1-18(2,3)23(4,5)22-13-15-10-11-17(21)20(15)16-9-7-6-8-14(16)12-19/h6-9,15H,10-11,13H2,1-5H3/t15-/m0/s1
InChIKeyBUDZNYVCDHMGAF-HNNXBMFYSA-N
XLogP4.08
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile?
The IUPAC name of 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile (CID 15525698) is 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile.
What is the SMILES notation for 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile?
The canonical SMILES for 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile is CC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)N1c1ccccc1C#N.
What is the InChIKey of 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile?
The InChIKey is BUDZNYVCDHMGAF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O2Si/c1-18(2,3)23(4,5)22-13-15-10-11-17(21)20(15)16-9-7-6-8-14(16)12-19/h6-9,15H,10-11,13H2,1-5H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile?
2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile has a molecular weight of 330.50 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile is sourced from PubChem (CID 15525698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).