(3S,5S)-3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one

C24H33NO2Si — CID 66739411

IUPAC(3S,5S)-3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one
SMILESC[C@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)N(COCC[Si](C)(C)C)C1=O
InChIInChI=1S/C24H33NO2Si/c1-19-16-23(25(24(19)26)18-27-14-15-28(2,3)4)17-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-13,19,23H,14-18H2,1-4H3/t19-,23-/m0/s1
InChIKeyHBSBPABHBKMHJW-CVDCTZTESA-N
MW395.62 g/mol
LogP5.45
Rot. Bonds8

About (3S,5S)-3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one

(3S,5S)-3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one (PubChem CID 66739411) has the molecular formula C24H33NO2Si and a molecular weight of 395.62 g/mol. Its IUPAC name is (3S,5S)-3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5S)-3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one
PubChem CID66739411
Molecular FormulaC24H33NO2Si
Molecular Weight395.62 g/mol
Exact Mass395.23
IUPAC Name(3S,5S)-3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one
SMILESC[C@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)N(COCC[Si](C)(C)C)C1=O
InChIInChI=1S/C24H33NO2Si/c1-19-16-23(25(24(19)26)18-27-14-15-28(2,3)4)17-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-13,19,23H,14-18H2,1-4H3/t19-,23-/m0/s1
InChIKeyHBSBPABHBKMHJW-CVDCTZTESA-N
XLogP5.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.62
LogP ≤ 55.45
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 (3S,5S)-3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one?
The IUPAC name of (3S,5S)-3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one (CID 66739411) is (3S,5S)-3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (3S,5S)-3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one?
The canonical SMILES for (3S,5S)-3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one is C[C@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)N(COCC[Si](C)(C)C)C1=O.
What is the InChIKey of (3S,5S)-3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one?
The InChIKey is HBSBPABHBKMHJW-CVDCTZTESA-N. The full InChI is InChI=1S/C24H33NO2Si/c1-19-16-23(25(24(19)26)18-27-14-15-28(2,3)4)17-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-13,19,23H,14-18H2,1-4H3/t19-,23-/m0/s1.
What are the key properties of (3S,5S)-3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one?
(3S,5S)-3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one has a molecular weight of 395.62 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 66739411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).