1-[3-[methyl(triphenylsilyl)amino]propyl]pyrrole-2,5-dione

C26H26N2O2Si — CID 87317172

IUPAC1-[3-[methyl(triphenylsilyl)amino]propyl]pyrrole-2,5-dione
SMILESCN(CCCN1C(=O)C=CC1=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O2Si/c1-27(20-11-21-28-25(29)18-19-26(28)30)31(22-12-5-2-6-13-22,23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-10,12-19H,11,20-21H2,1H3
InChIKeyGXIBUVFDMMWSAY-UHFFFAOYSA-N
MW426.59 g/mol
LogP1.90
Rot. Bonds8

About 1-[3-[methyl(triphenylsilyl)amino]propyl]pyrrole-2,5-dione

1-[3-[methyl(triphenylsilyl)amino]propyl]pyrrole-2,5-dione (PubChem CID 87317172) has the molecular formula C26H26N2O2Si and a molecular weight of 426.59 g/mol. Its IUPAC name is 1-[3-[methyl(triphenylsilyl)amino]propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-[methyl(triphenylsilyl)amino]propyl]pyrrole-2,5-dione
PubChem CID87317172
Molecular FormulaC26H26N2O2Si
Molecular Weight426.59 g/mol
Exact Mass426.18
IUPAC Name1-[3-[methyl(triphenylsilyl)amino]propyl]pyrrole-2,5-dione
SMILESCN(CCCN1C(=O)C=CC1=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O2Si/c1-27(20-11-21-28-25(29)18-19-26(28)30)31(22-12-5-2-6-13-22,23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-10,12-19H,11,20-21H2,1H3
InChIKeyGXIBUVFDMMWSAY-UHFFFAOYSA-N
XLogP1.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 51.90
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[methyl(triphenylsilyl)amino]propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-[methyl(triphenylsilyl)amino]propyl]pyrrole-2,5-dione (CID 87317172) is 1-[3-[methyl(triphenylsilyl)amino]propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-[methyl(triphenylsilyl)amino]propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-[methyl(triphenylsilyl)amino]propyl]pyrrole-2,5-dione is CN(CCCN1C(=O)C=CC1=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-[methyl(triphenylsilyl)amino]propyl]pyrrole-2,5-dione?
The InChIKey is GXIBUVFDMMWSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2Si/c1-27(20-11-21-28-25(29)18-19-26(28)30)31(22-12-5-2-6-13-22,23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-10,12-19H,11,20-21H2,1H3.
What are the key properties of 1-[3-[methyl(triphenylsilyl)amino]propyl]pyrrole-2,5-dione?
1-[3-[methyl(triphenylsilyl)amino]propyl]pyrrole-2,5-dione has a molecular weight of 426.59 g/mol, XLogP of 1.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[methyl(triphenylsilyl)amino]propyl]pyrrole-2,5-dione is sourced from PubChem (CID 87317172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).