(6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C15H29NO2Si — CID 165162854

IUPAC(6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC[C@]12CCC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C15H29NO2Si/c1-7-15-9-8-13(17)16(15)11-12(10-15)18-19(5,6)14(2,3)4/h12H,7-11H2,1-6H3/t12-,15+/m0/s1
InChIKeyYXYBITABMJKCRE-SWLSCSKDSA-N
MW283.49 g/mol
LogP3.55
Rot. Bonds3

About (6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

(6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 165162854) has the molecular formula C15H29NO2Si and a molecular weight of 283.49 g/mol. Its IUPAC name is (6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID165162854
Molecular FormulaC15H29NO2Si
Molecular Weight283.49 g/mol
Exact Mass283.20
IUPAC Name(6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC[C@]12CCC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C15H29NO2Si/c1-7-15-9-8-13(17)16(15)11-12(10-15)18-19(5,6)14(2,3)4/h12H,7-11H2,1-6H3/t12-,15+/m0/s1
InChIKeyYXYBITABMJKCRE-SWLSCSKDSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 53.55
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 (6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 165162854) is (6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CC[C@]12CCC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)C2.
What is the InChIKey of (6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is YXYBITABMJKCRE-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H29NO2Si/c1-7-15-9-8-13(17)16(15)11-12(10-15)18-19(5,6)14(2,3)4/h12H,7-11H2,1-6H3/t12-,15+/m0/s1.
What are the key properties of (6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 283.49 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 165162854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).