1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone

C7H11NO2 — CID 118104170

IUPAC1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone
SMILESCC(=O)N1C[C@H]2C[C@@H]1CO2
InChIInChI=1S/C7H11NO2/c1-5(9)8-3-7-2-6(8)4-10-7/h6-7H,2-4H2,1H3/t6-,7-/m1/s1
InChIKeyBDFPYYGVNHOAOL-RNFRBKRXSA-N
MW141.17 g/mol
LogP0.01
Rot. Bonds

About 1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone

1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone (PubChem CID 118104170) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone
PubChem CID118104170
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone
SMILESCC(=O)N1C[C@H]2C[C@@H]1CO2
InChIInChI=1S/C7H11NO2/c1-5(9)8-3-7-2-6(8)4-10-7/h6-7H,2-4H2,1H3/t6-,7-/m1/s1
InChIKeyBDFPYYGVNHOAOL-RNFRBKRXSA-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-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone?
The IUPAC name of 1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone (CID 118104170) is 1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone.
What is the SMILES notation for 1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone?
The canonical SMILES for 1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone is CC(=O)N1C[C@H]2C[C@@H]1CO2.
What is the InChIKey of 1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone?
The InChIKey is BDFPYYGVNHOAOL-RNFRBKRXSA-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/t6-,7-/m1/s1.
What are the key properties of 1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone?
1-[(1R,4R)-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-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone is sourced from PubChem (CID 118104170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).