3-[3-[dimethoxy(phenyl)silyl]propyl]-1-(2-hydroxyethyl)pyrrolidine-2,5-dione

C17H25NO5Si — CID 59616315

IUPAC3-[3-[dimethoxy(phenyl)silyl]propyl]-1-(2-hydroxyethyl)pyrrolidine-2,5-dione
SMILESCO[Si](CCCC1CC(=O)N(CCO)C1=O)(OC)c1ccccc1
InChIInChI=1S/C17H25NO5Si/c1-22-24(23-2,15-8-4-3-5-9-15)12-6-7-14-13-16(20)18(10-11-19)17(14)21/h3-5,8-9,14,19H,6-7,10-13H2,1-2H3
InChIKeyLMVFDOVSULRWDA-UHFFFAOYSA-N
MW351.48 g/mol
LogP0.78
Rot. Bonds9

About 3-[3-[dimethoxy(phenyl)silyl]propyl]-1-(2-hydroxyethyl)pyrrolidine-2,5-dione

3-[3-[dimethoxy(phenyl)silyl]propyl]-1-(2-hydroxyethyl)pyrrolidine-2,5-dione (PubChem CID 59616315) has the molecular formula C17H25NO5Si and a molecular weight of 351.48 g/mol. Its IUPAC name is 3-[3-[dimethoxy(phenyl)silyl]propyl]-1-(2-hydroxyethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[3-[dimethoxy(phenyl)silyl]propyl]-1-(2-hydroxyethyl)pyrrolidine-2,5-dione
PubChem CID59616315
Molecular FormulaC17H25NO5Si
Molecular Weight351.48 g/mol
Exact Mass351.15
IUPAC Name3-[3-[dimethoxy(phenyl)silyl]propyl]-1-(2-hydroxyethyl)pyrrolidine-2,5-dione
SMILESCO[Si](CCCC1CC(=O)N(CCO)C1=O)(OC)c1ccccc1
InChIInChI=1S/C17H25NO5Si/c1-22-24(23-2,15-8-4-3-5-9-15)12-6-7-14-13-16(20)18(10-11-19)17(14)21/h3-5,8-9,14,19H,6-7,10-13H2,1-2H3
InChIKeyLMVFDOVSULRWDA-UHFFFAOYSA-N
XLogP0.78
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[dimethoxy(phenyl)silyl]propyl]-1-(2-hydroxyethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[3-[dimethoxy(phenyl)silyl]propyl]-1-(2-hydroxyethyl)pyrrolidine-2,5-dione (CID 59616315) is 3-[3-[dimethoxy(phenyl)silyl]propyl]-1-(2-hydroxyethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[3-[dimethoxy(phenyl)silyl]propyl]-1-(2-hydroxyethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[3-[dimethoxy(phenyl)silyl]propyl]-1-(2-hydroxyethyl)pyrrolidine-2,5-dione is CO[Si](CCCC1CC(=O)N(CCO)C1=O)(OC)c1ccccc1.
What is the InChIKey of 3-[3-[dimethoxy(phenyl)silyl]propyl]-1-(2-hydroxyethyl)pyrrolidine-2,5-dione?
The InChIKey is LMVFDOVSULRWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5Si/c1-22-24(23-2,15-8-4-3-5-9-15)12-6-7-14-13-16(20)18(10-11-19)17(14)21/h3-5,8-9,14,19H,6-7,10-13H2,1-2H3.
What are the key properties of 3-[3-[dimethoxy(phenyl)silyl]propyl]-1-(2-hydroxyethyl)pyrrolidine-2,5-dione?
3-[3-[dimethoxy(phenyl)silyl]propyl]-1-(2-hydroxyethyl)pyrrolidine-2,5-dione has a molecular weight of 351.48 g/mol, XLogP of 0.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[dimethoxy(phenyl)silyl]propyl]-1-(2-hydroxyethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 59616315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).