(1R,2S,4R,5S)-5-[[dimethyl(phenyl)silyl]methyl]-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-7-one

C16H21NO2Si — CID 122210561

IUPAC(1R,2S,4R,5S)-5-[[dimethyl(phenyl)silyl]methyl]-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-7-one
SMILESC[Si](C)(C[C@@H]1[C@H]2O[C@H]2[C@H]2CCC(=O)N21)c1ccccc1
InChIInChI=1S/C16H21NO2Si/c1-20(2,11-6-4-3-5-7-11)10-13-16-15(19-16)12-8-9-14(18)17(12)13/h3-7,12-13,15-16H,8-10H2,1-2H3/t12-,13-,15+,16-/m1/s1
InChIKeyKKLDFJATHYXSOD-LUYZLQTOSA-N
MW287.43 g/mol
LogP1.74
Rot. Bonds3

About (1R,2S,4R,5S)-5-[[dimethyl(phenyl)silyl]methyl]-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-7-one

(1R,2S,4R,5S)-5-[[dimethyl(phenyl)silyl]methyl]-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-7-one (PubChem CID 122210561) has the molecular formula C16H21NO2Si and a molecular weight of 287.43 g/mol. Its IUPAC name is (1R,2S,4R,5S)-5-[[dimethyl(phenyl)silyl]methyl]-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-7-one.

Molecular Properties

Compound Name(1R,2S,4R,5S)-5-[[dimethyl(phenyl)silyl]methyl]-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-7-one
PubChem CID122210561
Molecular FormulaC16H21NO2Si
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name(1R,2S,4R,5S)-5-[[dimethyl(phenyl)silyl]methyl]-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-7-one
SMILESC[Si](C)(C[C@@H]1[C@H]2O[C@H]2[C@H]2CCC(=O)N21)c1ccccc1
InChIInChI=1S/C16H21NO2Si/c1-20(2,11-6-4-3-5-7-11)10-13-16-15(19-16)12-8-9-14(18)17(12)13/h3-7,12-13,15-16H,8-10H2,1-2H3/t12-,13-,15+,16-/m1/s1
InChIKeyKKLDFJATHYXSOD-LUYZLQTOSA-N
XLogP1.74
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5S)-5-[[dimethyl(phenyl)silyl]methyl]-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-7-one?
The IUPAC name of (1R,2S,4R,5S)-5-[[dimethyl(phenyl)silyl]methyl]-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-7-one (CID 122210561) is (1R,2S,4R,5S)-5-[[dimethyl(phenyl)silyl]methyl]-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-7-one.
What is the SMILES notation for (1R,2S,4R,5S)-5-[[dimethyl(phenyl)silyl]methyl]-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-7-one?
The canonical SMILES for (1R,2S,4R,5S)-5-[[dimethyl(phenyl)silyl]methyl]-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-7-one is C[Si](C)(C[C@@H]1[C@H]2O[C@H]2[C@H]2CCC(=O)N21)c1ccccc1.
What is the InChIKey of (1R,2S,4R,5S)-5-[[dimethyl(phenyl)silyl]methyl]-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-7-one?
The InChIKey is KKLDFJATHYXSOD-LUYZLQTOSA-N. The full InChI is InChI=1S/C16H21NO2Si/c1-20(2,11-6-4-3-5-7-11)10-13-16-15(19-16)12-8-9-14(18)17(12)13/h3-7,12-13,15-16H,8-10H2,1-2H3/t12-,13-,15+,16-/m1/s1.
What are the key properties of (1R,2S,4R,5S)-5-[[dimethyl(phenyl)silyl]methyl]-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-7-one?
(1R,2S,4R,5S)-5-[[dimethyl(phenyl)silyl]methyl]-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-7-one has a molecular weight of 287.43 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5S)-5-[[dimethyl(phenyl)silyl]methyl]-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-7-one is sourced from PubChem (CID 122210561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).