1-benzyl-5-(2-phenylethyl)-4-trimethylsilylpyrrole-2,3-dione

C22H25NO2Si — CID 10044271

IUPAC1-benzyl-5-(2-phenylethyl)-4-trimethylsilylpyrrole-2,3-dione
SMILESC[Si](C)(C)C1=C(CCc2ccccc2)N(Cc2ccccc2)C(=O)C1=O
InChIInChI=1S/C22H25NO2Si/c1-26(2,3)21-19(15-14-17-10-6-4-7-11-17)23(22(25)20(21)24)16-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3
InChIKeyQFKKPKXTBVMKDZ-UHFFFAOYSA-N
MW363.53 g/mol
LogP4.36
Rot. Bonds6

About 1-benzyl-5-(2-phenylethyl)-4-trimethylsilylpyrrole-2,3-dione

1-benzyl-5-(2-phenylethyl)-4-trimethylsilylpyrrole-2,3-dione (PubChem CID 10044271) has the molecular formula C22H25NO2Si and a molecular weight of 363.53 g/mol. Its IUPAC name is 1-benzyl-5-(2-phenylethyl)-4-trimethylsilylpyrrole-2,3-dione.

Molecular Properties

Compound Name1-benzyl-5-(2-phenylethyl)-4-trimethylsilylpyrrole-2,3-dione
PubChem CID10044271
Molecular FormulaC22H25NO2Si
Molecular Weight363.53 g/mol
Exact Mass363.17
IUPAC Name1-benzyl-5-(2-phenylethyl)-4-trimethylsilylpyrrole-2,3-dione
SMILESC[Si](C)(C)C1=C(CCc2ccccc2)N(Cc2ccccc2)C(=O)C1=O
InChIInChI=1S/C22H25NO2Si/c1-26(2,3)21-19(15-14-17-10-6-4-7-11-17)23(22(25)20(21)24)16-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3
InChIKeyQFKKPKXTBVMKDZ-UHFFFAOYSA-N
XLogP4.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2-phenylethyl)-4-trimethylsilylpyrrole-2,3-dione?
The IUPAC name of 1-benzyl-5-(2-phenylethyl)-4-trimethylsilylpyrrole-2,3-dione (CID 10044271) is 1-benzyl-5-(2-phenylethyl)-4-trimethylsilylpyrrole-2,3-dione.
What is the SMILES notation for 1-benzyl-5-(2-phenylethyl)-4-trimethylsilylpyrrole-2,3-dione?
The canonical SMILES for 1-benzyl-5-(2-phenylethyl)-4-trimethylsilylpyrrole-2,3-dione is C[Si](C)(C)C1=C(CCc2ccccc2)N(Cc2ccccc2)C(=O)C1=O.
What is the InChIKey of 1-benzyl-5-(2-phenylethyl)-4-trimethylsilylpyrrole-2,3-dione?
The InChIKey is QFKKPKXTBVMKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2Si/c1-26(2,3)21-19(15-14-17-10-6-4-7-11-17)23(22(25)20(21)24)16-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3.
What are the key properties of 1-benzyl-5-(2-phenylethyl)-4-trimethylsilylpyrrole-2,3-dione?
1-benzyl-5-(2-phenylethyl)-4-trimethylsilylpyrrole-2,3-dione has a molecular weight of 363.53 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2-phenylethyl)-4-trimethylsilylpyrrole-2,3-dione is sourced from PubChem (CID 10044271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).