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

C20H22N2O2Si — CID 123515113

IUPAC1-(3-amino-4-diphenylsilylbutyl)pyrrole-2,5-dione
SMILESNC(CCN1C(=O)C=CC1=O)C[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O2Si/c21-16(13-14-22-19(23)11-12-20(22)24)15-25(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,16,25H,13-15,21H2
InChIKeyFXVXOFAESLCWAZ-UHFFFAOYSA-N
MW350.49 g/mol
LogP0.67
Rot. Bonds7

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

1-(3-amino-4-diphenylsilylbutyl)pyrrole-2,5-dione (PubChem CID 123515113) has the molecular formula C20H22N2O2Si and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-(3-amino-4-diphenylsilylbutyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-amino-4-diphenylsilylbutyl)pyrrole-2,5-dione
PubChem CID123515113
Molecular FormulaC20H22N2O2Si
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name1-(3-amino-4-diphenylsilylbutyl)pyrrole-2,5-dione
SMILESNC(CCN1C(=O)C=CC1=O)C[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O2Si/c21-16(13-14-22-19(23)11-12-20(22)24)15-25(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,16,25H,13-15,21H2
InChIKeyFXVXOFAESLCWAZ-UHFFFAOYSA-N
XLogP0.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 50.67
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-diphenylsilylbutyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-amino-4-diphenylsilylbutyl)pyrrole-2,5-dione (CID 123515113) is 1-(3-amino-4-diphenylsilylbutyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-amino-4-diphenylsilylbutyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-amino-4-diphenylsilylbutyl)pyrrole-2,5-dione is NC(CCN1C(=O)C=CC1=O)C[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3-amino-4-diphenylsilylbutyl)pyrrole-2,5-dione?
The InChIKey is FXVXOFAESLCWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2Si/c21-16(13-14-22-19(23)11-12-20(22)24)15-25(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,16,25H,13-15,21H2.
What are the key properties of 1-(3-amino-4-diphenylsilylbutyl)pyrrole-2,5-dione?
1-(3-amino-4-diphenylsilylbutyl)pyrrole-2,5-dione has a molecular weight of 350.49 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-diphenylsilylbutyl)pyrrole-2,5-dione is sourced from PubChem (CID 123515113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).