8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C24H30FNO2Si — CID 156645484

IUPAC8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)(C)[Si](OCC12CCC(=O)N1CC(F)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30FNO2Si/c1-23(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)28-18-24-15-14-22(27)26(24)17-19(25)16-24/h4-13,19H,14-18H2,1-3H3
InChIKeyZTOQFDGZRAQJCK-UHFFFAOYSA-N
MW411.59 g/mol
LogP3.67
Rot. Bonds5

About 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 156645484) has the molecular formula C24H30FNO2Si and a molecular weight of 411.59 g/mol. Its IUPAC name is 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID156645484
Molecular FormulaC24H30FNO2Si
Molecular Weight411.59 g/mol
Exact Mass411.20
IUPAC Name8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)(C)[Si](OCC12CCC(=O)N1CC(F)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30FNO2Si/c1-23(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)28-18-24-15-14-22(27)26(24)17-19(25)16-24/h4-13,19H,14-18H2,1-3H3
InChIKeyZTOQFDGZRAQJCK-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 156645484) is 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CC(C)(C)[Si](OCC12CCC(=O)N1CC(F)C2)(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is ZTOQFDGZRAQJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO2Si/c1-23(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)28-18-24-15-14-22(27)26(24)17-19(25)16-24/h4-13,19H,14-18H2,1-3H3.
What are the key properties of 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 411.59 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 156645484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).