1-[3-(2,2-diphenylazasilolidin-1-yl)propyl]pyrrole-2,5-dione

C22H24N2O2Si — CID 67079750

IUPAC1-[3-(2,2-diphenylazasilolidin-1-yl)propyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCN1CCC[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O2Si/c25-21-13-14-22(26)24(21)17-7-15-23-16-8-18-27(23,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-14H,7-8,15-18H2
InChIKeyORRWKQYTKXFKKD-UHFFFAOYSA-N
MW376.53 g/mol
LogP1.77
Rot. Bonds6

About 1-[3-(2,2-diphenylazasilolidin-1-yl)propyl]pyrrole-2,5-dione

1-[3-(2,2-diphenylazasilolidin-1-yl)propyl]pyrrole-2,5-dione (PubChem CID 67079750) has the molecular formula C22H24N2O2Si and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-[3-(2,2-diphenylazasilolidin-1-yl)propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(2,2-diphenylazasilolidin-1-yl)propyl]pyrrole-2,5-dione
PubChem CID67079750
Molecular FormulaC22H24N2O2Si
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name1-[3-(2,2-diphenylazasilolidin-1-yl)propyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCN1CCC[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O2Si/c25-21-13-14-22(26)24(21)17-7-15-23-16-8-18-27(23,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-14H,7-8,15-18H2
InChIKeyORRWKQYTKXFKKD-UHFFFAOYSA-N
XLogP1.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(2,2-diphenylazasilolidin-1-yl)propyl]pyrrole-2,5-dione 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 1-[3-(2,2-diphenylazasilolidin-1-yl)propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(2,2-diphenylazasilolidin-1-yl)propyl]pyrrole-2,5-dione (CID 67079750) is 1-[3-(2,2-diphenylazasilolidin-1-yl)propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(2,2-diphenylazasilolidin-1-yl)propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(2,2-diphenylazasilolidin-1-yl)propyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCN1CCC[Si]1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-(2,2-diphenylazasilolidin-1-yl)propyl]pyrrole-2,5-dione?
The InChIKey is ORRWKQYTKXFKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2Si/c25-21-13-14-22(26)24(21)17-7-15-23-16-8-18-27(23,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-14H,7-8,15-18H2.
What are the key properties of 1-[3-(2,2-diphenylazasilolidin-1-yl)propyl]pyrrole-2,5-dione?
1-[3-(2,2-diphenylazasilolidin-1-yl)propyl]pyrrole-2,5-dione has a molecular weight of 376.53 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-diphenylazasilolidin-1-yl)propyl]pyrrole-2,5-dione is sourced from PubChem (CID 67079750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).