(1S,4S)-2-azabicyclo[2.2.1]heptane

C6H11N — CID 7545593

IUPAC(1S,4S)-2-azabicyclo[2.2.1]heptane
SMILESC1C[C@H]2C[C@H]1CN2
InChIInChI=1S/C6H11N/c1-2-6-3-5(1)4-7-6/h5-7H,1-4H2/t5-,6-/m0/s1
InChIKeyGYLMCBOAXJVARF-WDSKDSINSA-N
MW97.16 g/mol
LogP0.76
Rot. Bonds

About (1S,4S)-2-azabicyclo[2.2.1]heptane

(1S,4S)-2-azabicyclo[2.2.1]heptane (PubChem CID 7545593) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (1S,4S)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-2-azabicyclo[2.2.1]heptane
PubChem CID7545593
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(1S,4S)-2-azabicyclo[2.2.1]heptane
SMILESC1C[C@H]2C[C@H]1CN2
InChIInChI=1S/C6H11N/c1-2-6-3-5(1)4-7-6/h5-7H,1-4H2/t5-,6-/m0/s1
InChIKeyGYLMCBOAXJVARF-WDSKDSINSA-N
XLogP0.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-2-azabicyclo[2.2.1]heptane (CID 7545593) is (1S,4S)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-2-azabicyclo[2.2.1]heptane is C1C[C@H]2C[C@H]1CN2.
What is the InChIKey of (1S,4S)-2-azabicyclo[2.2.1]heptane?
The InChIKey is GYLMCBOAXJVARF-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11N/c1-2-6-3-5(1)4-7-6/h5-7H,1-4H2/t5-,6-/m0/s1.
What are the key properties of (1S,4S)-2-azabicyclo[2.2.1]heptane?
(1S,4S)-2-azabicyclo[2.2.1]heptane has a molecular weight of 97.16 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 7545593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).