(1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one

C15H19NOSi — CID 11436806

IUPAC(1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one
SMILESC[Si](C)(c1ccccc1)[C@H]1C=C[C@H]2C[C@@H]1C(=O)N2
InChIInChI=1S/C15H19NOSi/c1-18(2,12-6-4-3-5-7-12)14-9-8-11-10-13(14)15(17)16-11/h3-9,11,13-14H,10H2,1-2H3,(H,16,17)/t11-,13-,14-/m0/s1
InChIKeyXGFREFQMEVIQBD-UBHSHLNASA-N
MW257.41 g/mol
LogP2.05
Rot. Bonds2

About (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one

(1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one (PubChem CID 11436806) has the molecular formula C15H19NOSi and a molecular weight of 257.41 g/mol. Its IUPAC name is (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one.

Molecular Properties

Compound Name(1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one
PubChem CID11436806
Molecular FormulaC15H19NOSi
Molecular Weight257.41 g/mol
Exact Mass257.12
IUPAC Name(1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one
SMILESC[Si](C)(c1ccccc1)[C@H]1C=C[C@H]2C[C@@H]1C(=O)N2
InChIInChI=1S/C15H19NOSi/c1-18(2,12-6-4-3-5-7-12)14-9-8-11-10-13(14)15(17)16-11/h3-9,11,13-14H,10H2,1-2H3,(H,16,17)/t11-,13-,14-/m0/s1
InChIKeyXGFREFQMEVIQBD-UBHSHLNASA-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,2S,5R)-2-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one?
The IUPAC name of (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one (CID 11436806) is (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one.
What is the SMILES notation for (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one?
The canonical SMILES for (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one is C[Si](C)(c1ccccc1)[C@H]1C=C[C@H]2C[C@@H]1C(=O)N2.
What is the InChIKey of (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one?
The InChIKey is XGFREFQMEVIQBD-UBHSHLNASA-N. The full InChI is InChI=1S/C15H19NOSi/c1-18(2,12-6-4-3-5-7-12)14-9-8-11-10-13(14)15(17)16-11/h3-9,11,13-14H,10H2,1-2H3,(H,16,17)/t11-,13-,14-/m0/s1.
What are the key properties of (1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one?
(1R,2S,5R)-2-[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,2S,5R)-2-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one is sourced from PubChem (CID 11436806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).