1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone

C7H11NO2 — CID 23388545

IUPAC1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone
SMILESCC(=O)N1CC2CC1CO2
InChIInChI=1S/C7H11NO2/c1-5(9)8-3-7-2-6(8)4-10-7/h6-7H,2-4H2,1H3
InChIKeyBDFPYYGVNHOAOL-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.01
Rot. Bonds

About 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone

1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone (PubChem CID 23388545) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone
PubChem CID23388545
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone
SMILESCC(=O)N1CC2CC1CO2
InChIInChI=1S/C7H11NO2/c1-5(9)8-3-7-2-6(8)4-10-7/h6-7H,2-4H2,1H3
InChIKeyBDFPYYGVNHOAOL-UHFFFAOYSA-N
XLogP0.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone?
The IUPAC name of 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone (CID 23388545) is 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone.
What is the SMILES notation for 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone?
The canonical SMILES for 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone is CC(=O)N1CC2CC1CO2.
What is the InChIKey of 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone?
The InChIKey is BDFPYYGVNHOAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(9)8-3-7-2-6(8)4-10-7/h6-7H,2-4H2,1H3.
What are the key properties of 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone?
1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone has a molecular weight of 141.17 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone is sourced from PubChem (CID 23388545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).