5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one

C23H31NO2Si — CID 66739010

IUPAC5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one
SMILESC[Si](C)(C)CCOCN1C(=O)CCC1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H31NO2Si/c1-27(2,3)16-15-26-18-24-22(13-14-23(24)25)17-19-9-11-21(12-10-19)20-7-5-4-6-8-20/h4-12,22H,13-18H2,1-3H3
InChIKeyYIXYIHGPYHGTKY-UHFFFAOYSA-N
MW381.59 g/mol
LogP5.20
Rot. Bonds8

About 5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one

5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one (PubChem CID 66739010) has the molecular formula C23H31NO2Si and a molecular weight of 381.59 g/mol. Its IUPAC name is 5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one
PubChem CID66739010
Molecular FormulaC23H31NO2Si
Molecular Weight381.59 g/mol
Exact Mass381.21
IUPAC Name5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one
SMILESC[Si](C)(C)CCOCN1C(=O)CCC1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H31NO2Si/c1-27(2,3)16-15-26-18-24-22(13-14-23(24)25)17-19-9-11-21(12-10-19)20-7-5-4-6-8-20/h4-12,22H,13-18H2,1-3H3
InChIKeyYIXYIHGPYHGTKY-UHFFFAOYSA-N
XLogP5.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one?
The IUPAC name of 5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one (CID 66739010) is 5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one?
The canonical SMILES for 5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one is C[Si](C)(C)CCOCN1C(=O)CCC1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one?
The InChIKey is YIXYIHGPYHGTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2Si/c1-27(2,3)16-15-26-18-24-22(13-14-23(24)25)17-19-9-11-21(12-10-19)20-7-5-4-6-8-20/h4-12,22H,13-18H2,1-3H3.
What are the key properties of 5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one?
5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one has a molecular weight of 381.59 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 66739010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).