(5S,6R,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C16H23NO3Si — CID 122210562

IUPAC(5S,6R,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC[Si](C)(C[C@@H]1[C@@H](O)[C@H](O)[C@H]2CCC(=O)N21)c1ccccc1
InChIInChI=1S/C16H23NO3Si/c1-21(2,11-6-4-3-5-7-11)10-13-16(20)15(19)12-8-9-14(18)17(12)13/h3-7,12-13,15-16,19-20H,8-10H2,1-2H3/t12-,13-,15-,16-/m1/s1
InChIKeyKSYVZIQAFJSXQQ-RRCSTGOVSA-N
MW305.45 g/mol
LogP0.70
Rot. Bonds3

About (5S,6R,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(5S,6R,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 122210562) has the molecular formula C16H23NO3Si and a molecular weight of 305.45 g/mol. Its IUPAC name is (5S,6R,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(5S,6R,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID122210562
Molecular FormulaC16H23NO3Si
Molecular Weight305.45 g/mol
Exact Mass305.14
IUPAC Name(5S,6R,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC[Si](C)(C[C@@H]1[C@@H](O)[C@H](O)[C@H]2CCC(=O)N21)c1ccccc1
InChIInChI=1S/C16H23NO3Si/c1-21(2,11-6-4-3-5-7-11)10-13-16(20)15(19)12-8-9-14(18)17(12)13/h3-7,12-13,15-16,19-20H,8-10H2,1-2H3/t12-,13-,15-,16-/m1/s1
InChIKeyKSYVZIQAFJSXQQ-RRCSTGOVSA-N
XLogP0.70
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 50.70
H-Bond Donors ≤ 52
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 (5S,6R,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (5S,6R,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 122210562) is (5S,6R,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (5S,6R,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (5S,6R,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is C[Si](C)(C[C@@H]1[C@@H](O)[C@H](O)[C@H]2CCC(=O)N21)c1ccccc1.
What is the InChIKey of (5S,6R,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is KSYVZIQAFJSXQQ-RRCSTGOVSA-N. The full InChI is InChI=1S/C16H23NO3Si/c1-21(2,11-6-4-3-5-7-11)10-13-16(20)15(19)12-8-9-14(18)17(12)13/h3-7,12-13,15-16,19-20H,8-10H2,1-2H3/t12-,13-,15-,16-/m1/s1.
What are the key properties of (5S,6R,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(5S,6R,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 305.45 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 122210562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).