1-[3-(methylamino)-3-triphenylsilylpropyl]pyrrole-2,5-dione

C26H26N2O2Si — CID 87317173

IUPAC1-[3-(methylamino)-3-triphenylsilylpropyl]pyrrole-2,5-dione
SMILESCNC(CCN1C(=O)C=CC1=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O2Si/c1-27-24(19-20-28-25(29)17-18-26(28)30)31(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18,24,27H,19-20H2,1H3
InChIKeyMOLHGHGVJFXVKK-UHFFFAOYSA-N
MW426.59 g/mol
LogP1.60
Rot. Bonds8

About 1-[3-(methylamino)-3-triphenylsilylpropyl]pyrrole-2,5-dione

1-[3-(methylamino)-3-triphenylsilylpropyl]pyrrole-2,5-dione (PubChem CID 87317173) has the molecular formula C26H26N2O2Si and a molecular weight of 426.59 g/mol. Its IUPAC name is 1-[3-(methylamino)-3-triphenylsilylpropyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(methylamino)-3-triphenylsilylpropyl]pyrrole-2,5-dione
PubChem CID87317173
Molecular FormulaC26H26N2O2Si
Molecular Weight426.59 g/mol
Exact Mass426.18
IUPAC Name1-[3-(methylamino)-3-triphenylsilylpropyl]pyrrole-2,5-dione
SMILESCNC(CCN1C(=O)C=CC1=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O2Si/c1-27-24(19-20-28-25(29)17-18-26(28)30)31(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18,24,27H,19-20H2,1H3
InChIKeyMOLHGHGVJFXVKK-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 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 ≤ 51.60
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)-3-triphenylsilylpropyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(methylamino)-3-triphenylsilylpropyl]pyrrole-2,5-dione (CID 87317173) is 1-[3-(methylamino)-3-triphenylsilylpropyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(methylamino)-3-triphenylsilylpropyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(methylamino)-3-triphenylsilylpropyl]pyrrole-2,5-dione is CNC(CCN1C(=O)C=CC1=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-(methylamino)-3-triphenylsilylpropyl]pyrrole-2,5-dione?
The InChIKey is MOLHGHGVJFXVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2Si/c1-27-24(19-20-28-25(29)17-18-26(28)30)31(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18,24,27H,19-20H2,1H3.
What are the key properties of 1-[3-(methylamino)-3-triphenylsilylpropyl]pyrrole-2,5-dione?
1-[3-(methylamino)-3-triphenylsilylpropyl]pyrrole-2,5-dione has a molecular weight of 426.59 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)-3-triphenylsilylpropyl]pyrrole-2,5-dione is sourced from PubChem (CID 87317173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).