1-(3-amino-4-triphenylsilylbutyl)pyrrole-2,5-dione

C26H26N2O2Si — CID 87260898

IUPAC1-(3-amino-4-triphenylsilylbutyl)pyrrole-2,5-dione
SMILESNC(CCN1C(=O)C=CC1=O)C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O2Si/c27-21(18-19-28-25(29)16-17-26(28)30)20-31(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-17,21H,18-20,27H2
InChIKeyZHHMRVRZWUTHND-UHFFFAOYSA-N
MW426.59 g/mol
LogP1.80
Rot. Bonds8

About 1-(3-amino-4-triphenylsilylbutyl)pyrrole-2,5-dione

1-(3-amino-4-triphenylsilylbutyl)pyrrole-2,5-dione (PubChem CID 87260898) has the molecular formula C26H26N2O2Si and a molecular weight of 426.59 g/mol. Its IUPAC name is 1-(3-amino-4-triphenylsilylbutyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-amino-4-triphenylsilylbutyl)pyrrole-2,5-dione
PubChem CID87260898
Molecular FormulaC26H26N2O2Si
Molecular Weight426.59 g/mol
Exact Mass426.18
IUPAC Name1-(3-amino-4-triphenylsilylbutyl)pyrrole-2,5-dione
SMILESNC(CCN1C(=O)C=CC1=O)C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O2Si/c27-21(18-19-28-25(29)16-17-26(28)30)20-31(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-17,21H,18-20,27H2
InChIKeyZHHMRVRZWUTHND-UHFFFAOYSA-N
XLogP1.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 51.80
H-Bond Donors ≤ 51
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'}

Analyze 1-(3-amino-4-triphenylsilylbutyl)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-amino-4-triphenylsilylbutyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-amino-4-triphenylsilylbutyl)pyrrole-2,5-dione (CID 87260898) is 1-(3-amino-4-triphenylsilylbutyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-amino-4-triphenylsilylbutyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-amino-4-triphenylsilylbutyl)pyrrole-2,5-dione is NC(CCN1C(=O)C=CC1=O)C[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3-amino-4-triphenylsilylbutyl)pyrrole-2,5-dione?
The InChIKey is ZHHMRVRZWUTHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2Si/c27-21(18-19-28-25(29)16-17-26(28)30)20-31(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-17,21H,18-20,27H2.
What are the key properties of 1-(3-amino-4-triphenylsilylbutyl)pyrrole-2,5-dione?
1-(3-amino-4-triphenylsilylbutyl)pyrrole-2,5-dione has a molecular weight of 426.59 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-triphenylsilylbutyl)pyrrole-2,5-dione is sourced from PubChem (CID 87260898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).