4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one

C24H31NO2Si — CID 154364964

IUPAC4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one
SMILESCC(C)(C)[Si](OCC1CC(=O)N(C2CC2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO2Si/c1-24(2,3)28(21-10-6-4-7-11-21,22-12-8-5-9-13-22)27-18-19-16-23(26)25(17-19)20-14-15-20/h4-13,19-20H,14-18H2,1-3H3
InChIKeyMZGVMEAIXSKMOG-UHFFFAOYSA-N
MW393.60 g/mol
LogP3.57
Rot. Bonds6

About 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one

4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one (PubChem CID 154364964) has the molecular formula C24H31NO2Si and a molecular weight of 393.60 g/mol. Its IUPAC name is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one
PubChem CID154364964
Molecular FormulaC24H31NO2Si
Molecular Weight393.60 g/mol
Exact Mass393.21
IUPAC Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one
SMILESCC(C)(C)[Si](OCC1CC(=O)N(C2CC2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO2Si/c1-24(2,3)28(21-10-6-4-7-11-21,22-12-8-5-9-13-22)27-18-19-16-23(26)25(17-19)20-14-15-20/h4-13,19-20H,14-18H2,1-3H3
InChIKeyMZGVMEAIXSKMOG-UHFFFAOYSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.60
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one (CID 154364964) is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one is CC(C)(C)[Si](OCC1CC(=O)N(C2CC2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is MZGVMEAIXSKMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2Si/c1-24(2,3)28(21-10-6-4-7-11-21,22-12-8-5-9-13-22)27-18-19-16-23(26)25(17-19)20-14-15-20/h4-13,19-20H,14-18H2,1-3H3.
What are the key properties of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one?
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 393.60 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 154364964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).