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

C13H15NO2 — CID 84785313

IUPAC1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1N1CC2CC1CO2
InChIInChI=1S/C13H15NO2/c1-9(15)12-4-2-3-5-13(12)14-7-11-6-10(14)8-16-11/h2-5,10-11H,6-8H2,1H3
InChIKeyYGVTXLULVUGLJU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.87
Rot. Bonds2

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

1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]ethanone (PubChem CID 84785313) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]ethanone
PubChem CID84785313
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1N1CC2CC1CO2
InChIInChI=1S/C13H15NO2/c1-9(15)12-4-2-3-5-13(12)14-7-11-6-10(14)8-16-11/h2-5,10-11H,6-8H2,1H3
InChIKeyYGVTXLULVUGLJU-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-methylbenzimidazol-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 171512025
1-[2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
CID 84796370
methyl 4-fluoro-2-nitro-5-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]benzoate
CID 176888799
1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone
CID 5325728
1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone
CID 118104170
(1S,4S)-5-(4-tert-butylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 176615827
5-(4-tert-butylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 129268436
ethane;1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone
CID 145255190
4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)benzaldehyde
CID 84777224
1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone
CID 63170469
(1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 175860309
(1R,2S,6S,7S)-4-(2-acetylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 11890730

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]ethanone?
The IUPAC name of 1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]ethanone (CID 84785313) is 1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]ethanone is CC(=O)c1ccccc1N1CC2CC1CO2.
What is the InChIKey of 1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]ethanone?
The InChIKey is YGVTXLULVUGLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(15)12-4-2-3-5-13(12)14-7-11-6-10(14)8-16-11/h2-5,10-11H,6-8H2,1H3.
What are the key properties of 1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]ethanone?
1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]ethanone has a molecular weight of 217.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]ethanone is sourced from PubChem (CID 84785313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).