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

C24H31NO2Si — CID 156645528

IUPAC8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)(C)[Si](OCC12CCCN1C(=O)CC2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO2Si/c1-23(2,3)28(20-11-6-4-7-12-20,21-13-8-5-9-14-21)27-19-24-16-10-18-25(24)22(26)15-17-24/h4-9,11-14H,10,15-19H2,1-3H3
InChIKeyZUOHKSAIVGIIHG-UHFFFAOYSA-N
MW393.60 g/mol
LogP3.72
Rot. Bonds5

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

8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 156645528) has the molecular formula C24H31NO2Si and a molecular weight of 393.60 g/mol. Its IUPAC name is 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID156645528
Molecular FormulaC24H31NO2Si
Molecular Weight393.60 g/mol
Exact Mass393.21
IUPAC Name8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)(C)[Si](OCC12CCCN1C(=O)CC2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO2Si/c1-23(2,3)28(20-11-6-4-7-12-20,21-13-8-5-9-14-21)27-19-24-16-10-18-25(24)22(26)15-17-24/h4-9,11-14H,10,15-19H2,1-3H3
InChIKeyZUOHKSAIVGIIHG-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.60
LogP ≤ 53.72
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 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 156645528) is 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CC(C)(C)[Si](OCC12CCCN1C(=O)CC2)(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is ZUOHKSAIVGIIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2Si/c1-23(2,3)28(20-11-6-4-7-12-20,21-13-8-5-9-14-21)27-19-24-16-10-18-25(24)22(26)15-17-24/h4-9,11-14H,10,15-19H2,1-3H3.
What are the key properties of 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 393.60 g/mol, XLogP of 3.72, 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]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 156645528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).