(1R,5R,9R)-5-phenyl-7-oxa-6-azatricyclo[7.4.0.01,6]tridecane

C17H23NO — CID 132505922

IUPAC(1R,5R,9R)-5-phenyl-7-oxa-6-azatricyclo[7.4.0.01,6]tridecane
SMILESc1ccc([C@H]2CCC[C@]34CCCC[C@H]3CON24)cc1
InChIInChI=1S/C17H23NO/c1-2-7-14(8-3-1)16-10-6-12-17-11-5-4-9-15(17)13-19-18(16)17/h1-3,7-8,15-16H,4-6,9-13H2/t15-,16+,17+/m0/s1
InChIKeyPZUFSEYLBOBQFD-GVDBMIGSSA-N
MW257.38 g/mol
LogP4.09
Rot. Bonds1

About (1R,5R,9R)-5-phenyl-7-oxa-6-azatricyclo[7.4.0.01,6]tridecane

(1R,5R,9R)-5-phenyl-7-oxa-6-azatricyclo[7.4.0.01,6]tridecane (PubChem CID 132505922) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (1R,5R,9R)-5-phenyl-7-oxa-6-azatricyclo[7.4.0.01,6]tridecane.

Molecular Properties

Compound Name(1R,5R,9R)-5-phenyl-7-oxa-6-azatricyclo[7.4.0.01,6]tridecane
PubChem CID132505922
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(1R,5R,9R)-5-phenyl-7-oxa-6-azatricyclo[7.4.0.01,6]tridecane
SMILESc1ccc([C@H]2CCC[C@]34CCCC[C@H]3CON24)cc1
InChIInChI=1S/C17H23NO/c1-2-7-14(8-3-1)16-10-6-12-17-11-5-4-9-15(17)13-19-18(16)17/h1-3,7-8,15-16H,4-6,9-13H2/t15-,16+,17+/m0/s1
InChIKeyPZUFSEYLBOBQFD-GVDBMIGSSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,9R)-5-phenyl-7-oxa-6-azatricyclo[7.4.0.01,6]tridecane?
The IUPAC name of (1R,5R,9R)-5-phenyl-7-oxa-6-azatricyclo[7.4.0.01,6]tridecane (CID 132505922) is (1R,5R,9R)-5-phenyl-7-oxa-6-azatricyclo[7.4.0.01,6]tridecane.
What is the SMILES notation for (1R,5R,9R)-5-phenyl-7-oxa-6-azatricyclo[7.4.0.01,6]tridecane?
The canonical SMILES for (1R,5R,9R)-5-phenyl-7-oxa-6-azatricyclo[7.4.0.01,6]tridecane is c1ccc([C@H]2CCC[C@]34CCCC[C@H]3CON24)cc1.
What is the InChIKey of (1R,5R,9R)-5-phenyl-7-oxa-6-azatricyclo[7.4.0.01,6]tridecane?
The InChIKey is PZUFSEYLBOBQFD-GVDBMIGSSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-7-14(8-3-1)16-10-6-12-17-11-5-4-9-15(17)13-19-18(16)17/h1-3,7-8,15-16H,4-6,9-13H2/t15-,16+,17+/m0/s1.
What are the key properties of (1R,5R,9R)-5-phenyl-7-oxa-6-azatricyclo[7.4.0.01,6]tridecane?
(1R,5R,9R)-5-phenyl-7-oxa-6-azatricyclo[7.4.0.01,6]tridecane has a molecular weight of 257.38 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,9R)-5-phenyl-7-oxa-6-azatricyclo[7.4.0.01,6]tridecane is sourced from PubChem (CID 132505922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).