(3R,5S)-1-acetyl-5-ethyl-3-(3-triphenylsilylpropyl)pyrrolidin-2-one

C29H33NO2Si — CID 101232496

IUPAC(3R,5S)-1-acetyl-5-ethyl-3-(3-triphenylsilylpropyl)pyrrolidin-2-one
SMILESCC[C@H]1C[C@@H](CCC[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1C(C)=O
InChIInChI=1S/C29H33NO2Si/c1-3-25-22-24(29(32)30(25)23(2)31)14-13-21-33(26-15-7-4-8-16-26,27-17-9-5-10-18-27)28-19-11-6-12-20-28/h4-12,15-20,24-25H,3,13-14,21-22H2,1-2H3/t24-,25+/m1/s1
InChIKeyZAWINILZLLBXSX-RPBOFIJWSA-N
MW455.67 g/mol
LogP4.11
Rot. Bonds8

About (3R,5S)-1-acetyl-5-ethyl-3-(3-triphenylsilylpropyl)pyrrolidin-2-one

(3R,5S)-1-acetyl-5-ethyl-3-(3-triphenylsilylpropyl)pyrrolidin-2-one (PubChem CID 101232496) has the molecular formula C29H33NO2Si and a molecular weight of 455.67 g/mol. Its IUPAC name is (3R,5S)-1-acetyl-5-ethyl-3-(3-triphenylsilylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5S)-1-acetyl-5-ethyl-3-(3-triphenylsilylpropyl)pyrrolidin-2-one
PubChem CID101232496
Molecular FormulaC29H33NO2Si
Molecular Weight455.67 g/mol
Exact Mass455.23
IUPAC Name(3R,5S)-1-acetyl-5-ethyl-3-(3-triphenylsilylpropyl)pyrrolidin-2-one
SMILESCC[C@H]1C[C@@H](CCC[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1C(C)=O
InChIInChI=1S/C29H33NO2Si/c1-3-25-22-24(29(32)30(25)23(2)31)14-13-21-33(26-15-7-4-8-16-26,27-17-9-5-10-18-27)28-19-11-6-12-20-28/h4-12,15-20,24-25H,3,13-14,21-22H2,1-2H3/t24-,25+/m1/s1
InChIKeyZAWINILZLLBXSX-RPBOFIJWSA-N
XLogP4.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.67
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-acetyl-5-ethyl-3-(3-triphenylsilylpropyl)pyrrolidin-2-one?
The IUPAC name of (3R,5S)-1-acetyl-5-ethyl-3-(3-triphenylsilylpropyl)pyrrolidin-2-one (CID 101232496) is (3R,5S)-1-acetyl-5-ethyl-3-(3-triphenylsilylpropyl)pyrrolidin-2-one.
What is the SMILES notation for (3R,5S)-1-acetyl-5-ethyl-3-(3-triphenylsilylpropyl)pyrrolidin-2-one?
The canonical SMILES for (3R,5S)-1-acetyl-5-ethyl-3-(3-triphenylsilylpropyl)pyrrolidin-2-one is CC[C@H]1C[C@@H](CCC[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1C(C)=O.
What is the InChIKey of (3R,5S)-1-acetyl-5-ethyl-3-(3-triphenylsilylpropyl)pyrrolidin-2-one?
The InChIKey is ZAWINILZLLBXSX-RPBOFIJWSA-N. The full InChI is InChI=1S/C29H33NO2Si/c1-3-25-22-24(29(32)30(25)23(2)31)14-13-21-33(26-15-7-4-8-16-26,27-17-9-5-10-18-27)28-19-11-6-12-20-28/h4-12,15-20,24-25H,3,13-14,21-22H2,1-2H3/t24-,25+/m1/s1.
What are the key properties of (3R,5S)-1-acetyl-5-ethyl-3-(3-triphenylsilylpropyl)pyrrolidin-2-one?
(3R,5S)-1-acetyl-5-ethyl-3-(3-triphenylsilylpropyl)pyrrolidin-2-one has a molecular weight of 455.67 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-acetyl-5-ethyl-3-(3-triphenylsilylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 101232496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).