(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one

C19H27NO3Si — CID 69123371

IUPAC(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2C(O)=C(c3ccccc3)C(=O)N2C1
InChIInChI=1S/C19H27NO3Si/c1-19(2,3)24(4,5)23-14-11-15-17(21)16(18(22)20(15)12-14)13-9-7-6-8-10-13/h6-10,14-15,21H,11-12H2,1-5H3/t14-,15-/m1/s1
InChIKeyFLHBIRMHZGQPNT-HUUCEWRRSA-N
MW345.51 g/mol
LogP3.96
Rot. Bonds3

About (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one

(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one (PubChem CID 69123371) has the molecular formula C19H27NO3Si and a molecular weight of 345.51 g/mol. Its IUPAC name is (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one
PubChem CID69123371
Molecular FormulaC19H27NO3Si
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC Name(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2C(O)=C(c3ccccc3)C(=O)N2C1
InChIInChI=1S/C19H27NO3Si/c1-19(2,3)24(4,5)23-14-11-15-17(21)16(18(22)20(15)12-14)13-9-7-6-8-10-13/h6-10,14-15,21H,11-12H2,1-5H3/t14-,15-/m1/s1
InChIKeyFLHBIRMHZGQPNT-HUUCEWRRSA-N
XLogP3.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one?
The IUPAC name of (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one (CID 69123371) is (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one.
What is the SMILES notation for (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one?
The canonical SMILES for (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2C(O)=C(c3ccccc3)C(=O)N2C1.
What is the InChIKey of (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one?
The InChIKey is FLHBIRMHZGQPNT-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H27NO3Si/c1-19(2,3)24(4,5)23-14-11-15-17(21)16(18(22)20(15)12-14)13-9-7-6-8-10-13/h6-10,14-15,21H,11-12H2,1-5H3/t14-,15-/m1/s1.
What are the key properties of (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one?
(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one has a molecular weight of 345.51 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 69123371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).