7-pyrrolidin-3-yl-1-azabicyclo[2.2.1]heptane

C10H18N2 — CID 55263923

IUPAC7-pyrrolidin-3-yl-1-azabicyclo[2.2.1]heptane
SMILESC1CC(C2C3CCN2CC3)CN1
InChIInChI=1S/C10H18N2/c1-4-11-7-9(1)10-8-2-5-12(10)6-3-8/h8-11H,1-7H2
InChIKeyLRRZEOUUOZOTAA-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.69
Rot. Bonds1

About 7-pyrrolidin-3-yl-1-azabicyclo[2.2.1]heptane

7-pyrrolidin-3-yl-1-azabicyclo[2.2.1]heptane (PubChem CID 55263923) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 7-pyrrolidin-3-yl-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-pyrrolidin-3-yl-1-azabicyclo[2.2.1]heptane
PubChem CID55263923
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name7-pyrrolidin-3-yl-1-azabicyclo[2.2.1]heptane
SMILESC1CC(C2C3CCN2CC3)CN1
InChIInChI=1S/C10H18N2/c1-4-11-7-9(1)10-8-2-5-12(10)6-3-8/h8-11H,1-7H2
InChIKeyLRRZEOUUOZOTAA-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-3-yl-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-pyrrolidin-3-yl-1-azabicyclo[2.2.1]heptane (CID 55263923) is 7-pyrrolidin-3-yl-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-pyrrolidin-3-yl-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-pyrrolidin-3-yl-1-azabicyclo[2.2.1]heptane is C1CC(C2C3CCN2CC3)CN1.
What is the InChIKey of 7-pyrrolidin-3-yl-1-azabicyclo[2.2.1]heptane?
The InChIKey is LRRZEOUUOZOTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-11-7-9(1)10-8-2-5-12(10)6-3-8/h8-11H,1-7H2.
What are the key properties of 7-pyrrolidin-3-yl-1-azabicyclo[2.2.1]heptane?
7-pyrrolidin-3-yl-1-azabicyclo[2.2.1]heptane has a molecular weight of 166.27 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-3-yl-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 55263923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).