(1R,5R,8R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one

C15H19NOSi — CID 11414219

IUPAC(1R,5R,8R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one
SMILESC[Si](C)(c1ccccc1)[C@@H]1[C@@H]2CC=C[C@H]1NC2=O
InChIInChI=1S/C15H19NOSi/c1-18(2,11-7-4-3-5-8-11)14-12-9-6-10-13(14)16-15(12)17/h3-8,10,12-14H,9H2,1-2H3,(H,16,17)/t12-,13+,14+/m0/s1
InChIKeyVWPYGCUOFYYGLY-BFHYXJOUSA-N
MW257.41 g/mol
LogP2.05
Rot. Bonds2

About (1R,5R,8R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one

(1R,5R,8R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one (PubChem CID 11414219) has the molecular formula C15H19NOSi and a molecular weight of 257.41 g/mol. Its IUPAC name is (1R,5R,8R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one.

Molecular Properties

Compound Name(1R,5R,8R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one
PubChem CID11414219
Molecular FormulaC15H19NOSi
Molecular Weight257.41 g/mol
Exact Mass257.12
IUPAC Name(1R,5R,8R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one
SMILESC[Si](C)(c1ccccc1)[C@@H]1[C@@H]2CC=C[C@H]1NC2=O
InChIInChI=1S/C15H19NOSi/c1-18(2,11-7-4-3-5-8-11)14-12-9-6-10-13(14)16-15(12)17/h3-8,10,12-14H,9H2,1-2H3,(H,16,17)/t12-,13+,14+/m0/s1
InChIKeyVWPYGCUOFYYGLY-BFHYXJOUSA-N
XLogP2.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,8R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one?
The IUPAC name of (1R,5R,8R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one (CID 11414219) is (1R,5R,8R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one.
What is the SMILES notation for (1R,5R,8R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one?
The canonical SMILES for (1R,5R,8R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one is C[Si](C)(c1ccccc1)[C@@H]1[C@@H]2CC=C[C@H]1NC2=O.
What is the InChIKey of (1R,5R,8R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one?
The InChIKey is VWPYGCUOFYYGLY-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H19NOSi/c1-18(2,11-7-4-3-5-8-11)14-12-9-6-10-13(14)16-15(12)17/h3-8,10,12-14H,9H2,1-2H3,(H,16,17)/t12-,13+,14+/m0/s1.
What are the key properties of (1R,5R,8R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one?
(1R,5R,8R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one has a molecular weight of 257.41 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,8R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one is sourced from PubChem (CID 11414219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).