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

C23H26N2O2Si — CID 67080032

IUPAC1-[3-(2,2-diphenylazasilinan-1-yl)propyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCN1CCCC[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O2Si/c26-22-14-15-23(27)25(22)18-9-17-24-16-7-8-19-28(24,20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-6,10-15H,7-9,16-19H2
InChIKeyBEQPXQFJAIGWCH-UHFFFAOYSA-N
MW390.56 g/mol
LogP2.16
Rot. Bonds6

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

1-[3-(2,2-diphenylazasilinan-1-yl)propyl]pyrrole-2,5-dione (PubChem CID 67080032) has the molecular formula C23H26N2O2Si and a molecular weight of 390.56 g/mol. Its IUPAC name is 1-[3-(2,2-diphenylazasilinan-1-yl)propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(2,2-diphenylazasilinan-1-yl)propyl]pyrrole-2,5-dione
PubChem CID67080032
Molecular FormulaC23H26N2O2Si
Molecular Weight390.56 g/mol
Exact Mass390.18
IUPAC Name1-[3-(2,2-diphenylazasilinan-1-yl)propyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCN1CCCC[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O2Si/c26-22-14-15-23(27)25(22)18-9-17-24-16-7-8-19-28(24,20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-6,10-15H,7-9,16-19H2
InChIKeyBEQPXQFJAIGWCH-UHFFFAOYSA-N
XLogP2.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 52.16
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-diphenylazasilinan-1-yl)propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(2,2-diphenylazasilinan-1-yl)propyl]pyrrole-2,5-dione (CID 67080032) is 1-[3-(2,2-diphenylazasilinan-1-yl)propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(2,2-diphenylazasilinan-1-yl)propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(2,2-diphenylazasilinan-1-yl)propyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCN1CCCC[Si]1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-(2,2-diphenylazasilinan-1-yl)propyl]pyrrole-2,5-dione?
The InChIKey is BEQPXQFJAIGWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2Si/c26-22-14-15-23(27)25(22)18-9-17-24-16-7-8-19-28(24,20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-6,10-15H,7-9,16-19H2.
What are the key properties of 1-[3-(2,2-diphenylazasilinan-1-yl)propyl]pyrrole-2,5-dione?
1-[3-(2,2-diphenylazasilinan-1-yl)propyl]pyrrole-2,5-dione has a molecular weight of 390.56 g/mol, XLogP of 2.16, 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-diphenylazasilinan-1-yl)propyl]pyrrole-2,5-dione is sourced from PubChem (CID 67080032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).