1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane

C12H15NO2 — CID 169149734

IUPAC1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCOc1cccc(C23CNC(CO2)C3)c1
InChIInChI=1S/C12H15NO2/c1-14-11-4-2-3-9(5-11)12-6-10(7-15-12)13-8-12/h2-5,10,13H,6-8H2,1H3
InChIKeyAIYUFXZZVCYKJA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.28
Rot. Bonds2

About 1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane

1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 169149734) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID169149734
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCOc1cccc(C23CNC(CO2)C3)c1
InChIInChI=1S/C12H15NO2/c1-14-11-4-2-3-9(5-11)12-6-10(7-15-12)13-8-12/h2-5,10,13H,6-8H2,1H3
InChIKeyAIYUFXZZVCYKJA-UHFFFAOYSA-N
XLogP1.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 169149734) is 1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane is COc1cccc(C23CNC(CO2)C3)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is AIYUFXZZVCYKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-14-11-4-2-3-9(5-11)12-6-10(7-15-12)13-8-12/h2-5,10,13H,6-8H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 205.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 169149734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).