4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropyl-3-methylpyrrolidin-2-one

C25H33NO2Si — CID 154332211

IUPAC4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropyl-3-methylpyrrolidin-2-one
SMILESCC1C(=O)N(C2CC2)CC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H33NO2Si/c1-19-20(17-26(24(19)27)21-15-16-21)18-28-29(25(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,19-21H,15-18H2,1-4H3
InChIKeyMHQHWGUSMYSVRC-UHFFFAOYSA-N
MW407.63 g/mol
LogP3.82
Rot. Bonds6

About 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropyl-3-methylpyrrolidin-2-one

4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropyl-3-methylpyrrolidin-2-one (PubChem CID 154332211) has the molecular formula C25H33NO2Si and a molecular weight of 407.63 g/mol. Its IUPAC name is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropyl-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropyl-3-methylpyrrolidin-2-one
PubChem CID154332211
Molecular FormulaC25H33NO2Si
Molecular Weight407.63 g/mol
Exact Mass407.23
IUPAC Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropyl-3-methylpyrrolidin-2-one
SMILESCC1C(=O)N(C2CC2)CC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H33NO2Si/c1-19-20(17-26(24(19)27)21-15-16-21)18-28-29(25(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,19-21H,15-18H2,1-4H3
InChIKeyMHQHWGUSMYSVRC-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.63
LogP ≤ 53.82
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-cyclopropyl-3-methylpyrrolidin-2-one?
The IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropyl-3-methylpyrrolidin-2-one (CID 154332211) is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropyl-3-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropyl-3-methylpyrrolidin-2-one?
The canonical SMILES for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropyl-3-methylpyrrolidin-2-one is CC1C(=O)N(C2CC2)CC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropyl-3-methylpyrrolidin-2-one?
The InChIKey is MHQHWGUSMYSVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2Si/c1-19-20(17-26(24(19)27)21-15-16-21)18-28-29(25(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,19-21H,15-18H2,1-4H3.
What are the key properties of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropyl-3-methylpyrrolidin-2-one?
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropyl-3-methylpyrrolidin-2-one has a molecular weight of 407.63 g/mol, XLogP of 3.82, 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-cyclopropyl-3-methylpyrrolidin-2-one is sourced from PubChem (CID 154332211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).