8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(difluoromethylidene)-1,2,5,7-tetrahydropyrrolizin-3-one

C15H25F2NO2Si — CID 177213380

IUPAC8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(difluoromethylidene)-1,2,5,7-tetrahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)OCC12CCC(=O)N1CC(=C(F)F)C2
InChIInChI=1S/C15H25F2NO2Si/c1-14(2,3)21(4,5)20-10-15-7-6-12(19)18(15)9-11(8-15)13(16)17/h6-10H2,1-5H3
InChIKeyDVZKVYPUQPJQMD-UHFFFAOYSA-N
MW317.45 g/mol
LogP3.92
Rot. Bonds3

About 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(difluoromethylidene)-1,2,5,7-tetrahydropyrrolizin-3-one

8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(difluoromethylidene)-1,2,5,7-tetrahydropyrrolizin-3-one (PubChem CID 177213380) has the molecular formula C15H25F2NO2Si and a molecular weight of 317.45 g/mol. Its IUPAC name is 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(difluoromethylidene)-1,2,5,7-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(difluoromethylidene)-1,2,5,7-tetrahydropyrrolizin-3-one
PubChem CID177213380
Molecular FormulaC15H25F2NO2Si
Molecular Weight317.45 g/mol
Exact Mass317.16
IUPAC Name8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(difluoromethylidene)-1,2,5,7-tetrahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)OCC12CCC(=O)N1CC(=C(F)F)C2
InChIInChI=1S/C15H25F2NO2Si/c1-14(2,3)21(4,5)20-10-15-7-6-12(19)18(15)9-11(8-15)13(16)17/h6-10H2,1-5H3
InChIKeyDVZKVYPUQPJQMD-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.92
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(dimethyl)silyl]oxymethyl]-6-(difluoromethylidene)-1,2,5,7-tetrahydropyrrolizin-3-one?
The IUPAC name of 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(difluoromethylidene)-1,2,5,7-tetrahydropyrrolizin-3-one (CID 177213380) is 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(difluoromethylidene)-1,2,5,7-tetrahydropyrrolizin-3-one.
What is the SMILES notation for 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(difluoromethylidene)-1,2,5,7-tetrahydropyrrolizin-3-one?
The canonical SMILES for 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(difluoromethylidene)-1,2,5,7-tetrahydropyrrolizin-3-one is CC(C)(C)[Si](C)(C)OCC12CCC(=O)N1CC(=C(F)F)C2.
What is the InChIKey of 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(difluoromethylidene)-1,2,5,7-tetrahydropyrrolizin-3-one?
The InChIKey is DVZKVYPUQPJQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO2Si/c1-14(2,3)21(4,5)20-10-15-7-6-12(19)18(15)9-11(8-15)13(16)17/h6-10H2,1-5H3.
What are the key properties of 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(difluoromethylidene)-1,2,5,7-tetrahydropyrrolizin-3-one?
8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(difluoromethylidene)-1,2,5,7-tetrahydropyrrolizin-3-one has a molecular weight of 317.45 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(difluoromethylidene)-1,2,5,7-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 177213380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).