5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one

C13H15NO2 — CID 544551

IUPAC5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one
SMILESO=C1CCC(O)(c2ccccc2)C2CCN12
InChIInChI=1S/C13H15NO2/c15-12-6-8-13(16,11-7-9-14(11)12)10-4-2-1-3-5-10/h1-5,11,16H,6-9H2
InChIKeyVCZPLWLAMPUTJF-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.27
Rot. Bonds1

About 5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one

5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one (PubChem CID 544551) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one.

Molecular Properties

Compound Name5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one
PubChem CID544551
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one
SMILESO=C1CCC(O)(c2ccccc2)C2CCN12
InChIInChI=1S/C13H15NO2/c15-12-6-8-13(16,11-7-9-14(11)12)10-4-2-1-3-5-10/h1-5,11,16H,6-9H2
InChIKeyVCZPLWLAMPUTJF-UHFFFAOYSA-N
XLogP1.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one?
The IUPAC name of 5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one (CID 544551) is 5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one.
What is the SMILES notation for 5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one?
The canonical SMILES for 5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one is O=C1CCC(O)(c2ccccc2)C2CCN12.
What is the InChIKey of 5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one?
The InChIKey is VCZPLWLAMPUTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-12-6-8-13(16,11-7-9-14(11)12)10-4-2-1-3-5-10/h1-5,11,16H,6-9H2.
What are the key properties of 5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one?
5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one is sourced from PubChem (CID 544551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).