3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane

C11H15NO — CID 19432891

IUPAC3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCc1ccc(C2CN3CCC2C3)o1
InChIInChI=1S/C11H15NO/c1-8-2-3-11(13-8)10-7-12-5-4-9(10)6-12/h2-3,9-10H,4-7H2,1H3
InChIKeyJJPAKRWRJPWFHL-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.01
Rot. Bonds1

About 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane

3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane (PubChem CID 19432891) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane
PubChem CID19432891
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCc1ccc(C2CN3CCC2C3)o1
InChIInChI=1S/C11H15NO/c1-8-2-3-11(13-8)10-7-12-5-4-9(10)6-12/h2-3,9-10H,4-7H2,1H3
InChIKeyJJPAKRWRJPWFHL-UHFFFAOYSA-N
XLogP2.01
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane (CID 19432891) is 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane is Cc1ccc(C2CN3CCC2C3)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane?
The InChIKey is JJPAKRWRJPWFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-2-3-11(13-8)10-7-12-5-4-9(10)6-12/h2-3,9-10H,4-7H2,1H3.
What are the key properties of 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane?
3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane has a molecular weight of 177.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 19432891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).