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

C5H7NO2 — CID 12769202

IUPAC2-oxa-5-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1OC2CNC1C2
InChIInChI=1S/C5H7NO2/c7-5-4-1-3(8-5)2-6-4/h3-4,6H,1-2H2
InChIKeyWAWSGFGXFSUXIA-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.73
Rot. Bonds

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

2-oxa-5-azabicyclo[2.2.1]heptan-3-one (PubChem CID 12769202) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-oxa-5-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name2-oxa-5-azabicyclo[2.2.1]heptan-3-one
PubChem CID12769202
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name2-oxa-5-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1OC2CNC1C2
InChIInChI=1S/C5H7NO2/c7-5-4-1-3(8-5)2-6-4/h3-4,6H,1-2H2
InChIKeyWAWSGFGXFSUXIA-UHFFFAOYSA-N
XLogP-0.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of 2-oxa-5-azabicyclo[2.2.1]heptan-3-one (CID 12769202) is 2-oxa-5-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for 2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for 2-oxa-5-azabicyclo[2.2.1]heptan-3-one is O=C1OC2CNC1C2.
What is the InChIKey of 2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is WAWSGFGXFSUXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c7-5-4-1-3(8-5)2-6-4/h3-4,6H,1-2H2.
What are the key properties of 2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
2-oxa-5-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 113.12 g/mol, XLogP of -0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-5-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 12769202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).