5-benzoyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one

C12H11NO3 — CID 14584906

IUPAC5-benzoyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1OC2CC1N(C(=O)c1ccccc1)C2
InChIInChI=1S/C12H11NO3/c14-11(8-4-2-1-3-5-8)13-7-9-6-10(13)12(15)16-9/h1-5,9-10H,6-7H2
InChIKeyZQSSLQPAFZBZOC-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.83
Rot. Bonds1

About 5-benzoyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one

5-benzoyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one (PubChem CID 14584906) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 5-benzoyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name5-benzoyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
PubChem CID14584906
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name5-benzoyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1OC2CC1N(C(=O)c1ccccc1)C2
InChIInChI=1S/C12H11NO3/c14-11(8-4-2-1-3-5-8)13-7-9-6-10(13)12(15)16-9/h1-5,9-10H,6-7H2
InChIKeyZQSSLQPAFZBZOC-UHFFFAOYSA-N
XLogP0.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-benzoyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of 5-benzoyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one (CID 14584906) is 5-benzoyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for 5-benzoyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for 5-benzoyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one is O=C1OC2CC1N(C(=O)c1ccccc1)C2.
What is the InChIKey of 5-benzoyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is ZQSSLQPAFZBZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-11(8-4-2-1-3-5-8)13-7-9-6-10(13)12(15)16-9/h1-5,9-10H,6-7H2.
What are the key properties of 5-benzoyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
5-benzoyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 217.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 14584906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).