(1S,8R)-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecane-7,10-dione

C15H15NO3 — CID 67562605

IUPAC(1S,8R)-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecane-7,10-dione
SMILESO=C1C[C@@H]2C3COC(c4ccccc4)N3C(=O)[C@@H]2C1
InChIInChI=1S/C15H15NO3/c17-10-6-11-12(7-10)14(18)16-13(11)8-19-15(16)9-4-2-1-3-5-9/h1-5,11-13,15H,6-8H2/t11-,12+,13?,15?/m0/s1
InChIKeyBKYDZQHJLVFWLS-HJZMNPPUSA-N
MW257.29 g/mol
LogP1.52
Rot. Bonds1

About (1S,8R)-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecane-7,10-dione

(1S,8R)-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecane-7,10-dione (PubChem CID 67562605) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (1S,8R)-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecane-7,10-dione.

Molecular Properties

Compound Name(1S,8R)-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecane-7,10-dione
PubChem CID67562605
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(1S,8R)-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecane-7,10-dione
SMILESO=C1C[C@@H]2C3COC(c4ccccc4)N3C(=O)[C@@H]2C1
InChIInChI=1S/C15H15NO3/c17-10-6-11-12(7-10)14(18)16-13(11)8-19-15(16)9-4-2-1-3-5-9/h1-5,11-13,15H,6-8H2/t11-,12+,13?,15?/m0/s1
InChIKeyBKYDZQHJLVFWLS-HJZMNPPUSA-N
XLogP1.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,8R)-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecane-7,10-dione?
The IUPAC name of (1S,8R)-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecane-7,10-dione (CID 67562605) is (1S,8R)-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecane-7,10-dione.
What is the SMILES notation for (1S,8R)-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecane-7,10-dione?
The canonical SMILES for (1S,8R)-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecane-7,10-dione is O=C1C[C@@H]2C3COC(c4ccccc4)N3C(=O)[C@@H]2C1.
What is the InChIKey of (1S,8R)-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecane-7,10-dione?
The InChIKey is BKYDZQHJLVFWLS-HJZMNPPUSA-N. The full InChI is InChI=1S/C15H15NO3/c17-10-6-11-12(7-10)14(18)16-13(11)8-19-15(16)9-4-2-1-3-5-9/h1-5,11-13,15H,6-8H2/t11-,12+,13?,15?/m0/s1.
What are the key properties of (1S,8R)-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecane-7,10-dione?
(1S,8R)-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecane-7,10-dione has a molecular weight of 257.29 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecane-7,10-dione is sourced from PubChem (CID 67562605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).