2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane

C11H20N2 — CID 115015773

IUPAC2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane
SMILESC1CNC(C2CCC3CCC2N3)C1
InChIInChI=1S/C11H20N2/c1-2-10(12-7-1)9-5-3-8-4-6-11(9)13-8/h8-13H,1-7H2
InChIKeyOSXKGPIEETWHPX-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.27
Rot. Bonds1

About 2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane

2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 115015773) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID115015773
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane
SMILESC1CNC(C2CCC3CCC2N3)C1
InChIInChI=1S/C11H20N2/c1-2-10(12-7-1)9-5-3-8-4-6-11(9)13-8/h8-13H,1-7H2
InChIKeyOSXKGPIEETWHPX-UHFFFAOYSA-N
XLogP1.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane (CID 115015773) is 2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane is C1CNC(C2CCC3CCC2N3)C1.
What is the InChIKey of 2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is OSXKGPIEETWHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-10(12-7-1)9-5-3-8-4-6-11(9)13-8/h8-13H,1-7H2.
What are the key properties of 2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane?
2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 180.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 115015773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).