1-[3-[bis(diphenylsilyl)amino]propyl]pyrrole-2,5-dione

C31H30N2O2Si2 — CID 123931570

IUPAC1-[3-[bis(diphenylsilyl)amino]propyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCN([SiH](c1ccccc1)c1ccccc1)[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C31H30N2O2Si2/c34-30-22-23-31(35)32(30)24-13-25-33(36(26-14-5-1-6-15-26)27-16-7-2-8-17-27)37(28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-12,14-23,36-37H,13,24-25H2
InChIKeyXBWRJAVKCQDMJL-UHFFFAOYSA-N
MW518.77 g/mol
LogP1.68
Rot. Bonds10

About 1-[3-[bis(diphenylsilyl)amino]propyl]pyrrole-2,5-dione

1-[3-[bis(diphenylsilyl)amino]propyl]pyrrole-2,5-dione (PubChem CID 123931570) has the molecular formula C31H30N2O2Si2 and a molecular weight of 518.77 g/mol. Its IUPAC name is 1-[3-[bis(diphenylsilyl)amino]propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-[bis(diphenylsilyl)amino]propyl]pyrrole-2,5-dione
PubChem CID123931570
Molecular FormulaC31H30N2O2Si2
Molecular Weight518.77 g/mol
Exact Mass518.18
IUPAC Name1-[3-[bis(diphenylsilyl)amino]propyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCN([SiH](c1ccccc1)c1ccccc1)[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C31H30N2O2Si2/c34-30-22-23-31(35)32(30)24-13-25-33(36(26-14-5-1-6-15-26)27-16-7-2-8-17-27)37(28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-12,14-23,36-37H,13,24-25H2
InChIKeyXBWRJAVKCQDMJL-UHFFFAOYSA-N
XLogP1.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.77
LogP ≤ 51.68
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-[bis(diphenylsilyl)amino]propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-[bis(diphenylsilyl)amino]propyl]pyrrole-2,5-dione (CID 123931570) is 1-[3-[bis(diphenylsilyl)amino]propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-[bis(diphenylsilyl)amino]propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-[bis(diphenylsilyl)amino]propyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCN([SiH](c1ccccc1)c1ccccc1)[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-[bis(diphenylsilyl)amino]propyl]pyrrole-2,5-dione?
The InChIKey is XBWRJAVKCQDMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O2Si2/c34-30-22-23-31(35)32(30)24-13-25-33(36(26-14-5-1-6-15-26)27-16-7-2-8-17-27)37(28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-12,14-23,36-37H,13,24-25H2.
What are the key properties of 1-[3-[bis(diphenylsilyl)amino]propyl]pyrrole-2,5-dione?
1-[3-[bis(diphenylsilyl)amino]propyl]pyrrole-2,5-dione has a molecular weight of 518.77 g/mol, XLogP of 1.68, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[bis(diphenylsilyl)amino]propyl]pyrrole-2,5-dione is sourced from PubChem (CID 123931570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).