(1R,4R)-7-pyrrolidin-1-yl-2-azabicyclo[2.2.1]heptane

C10H18N2 — CID 165354641

IUPAC(1R,4R)-7-pyrrolidin-1-yl-2-azabicyclo[2.2.1]heptane
SMILESC1CCN(C2[C@@H]3CC[C@H]2NC3)C1
InChIInChI=1S/C10H18N2/c1-2-6-12(5-1)10-8-3-4-9(10)11-7-8/h8-11H,1-7H2/t8-,9-,10?/m1/s1
InChIKeyZWNSGJDVFNQTDC-MGRQHWMJSA-N
MW166.27 g/mol
LogP0.83
Rot. Bonds1

About (1R,4R)-7-pyrrolidin-1-yl-2-azabicyclo[2.2.1]heptane

(1R,4R)-7-pyrrolidin-1-yl-2-azabicyclo[2.2.1]heptane (PubChem CID 165354641) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (1R,4R)-7-pyrrolidin-1-yl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-7-pyrrolidin-1-yl-2-azabicyclo[2.2.1]heptane
PubChem CID165354641
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(1R,4R)-7-pyrrolidin-1-yl-2-azabicyclo[2.2.1]heptane
SMILESC1CCN(C2[C@@H]3CC[C@H]2NC3)C1
InChIInChI=1S/C10H18N2/c1-2-6-12(5-1)10-8-3-4-9(10)11-7-8/h8-11H,1-7H2/t8-,9-,10?/m1/s1
InChIKeyZWNSGJDVFNQTDC-MGRQHWMJSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-7-pyrrolidin-1-yl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-7-pyrrolidin-1-yl-2-azabicyclo[2.2.1]heptane (CID 165354641) is (1R,4R)-7-pyrrolidin-1-yl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-7-pyrrolidin-1-yl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-7-pyrrolidin-1-yl-2-azabicyclo[2.2.1]heptane is C1CCN(C2[C@@H]3CC[C@H]2NC3)C1.
What is the InChIKey of (1R,4R)-7-pyrrolidin-1-yl-2-azabicyclo[2.2.1]heptane?
The InChIKey is ZWNSGJDVFNQTDC-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-6-12(5-1)10-8-3-4-9(10)11-7-8/h8-11H,1-7H2/t8-,9-,10?/m1/s1.
What are the key properties of (1R,4R)-7-pyrrolidin-1-yl-2-azabicyclo[2.2.1]heptane?
(1R,4R)-7-pyrrolidin-1-yl-2-azabicyclo[2.2.1]heptane has a molecular weight of 166.27 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-7-pyrrolidin-1-yl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 165354641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).