2-azatricyclo[2.1.1.01,4]hexane

C5H7N — CID 148680523

IUPAC2-azatricyclo[2.1.1.01,4]hexane
SMILESC1NC23CC12C3
InChIInChI=1S/C5H7N/c1-4-2-5(1,4)6-3-4/h6H,1-3H2
InChIKeyNRMUJIUKTDWHPG-UHFFFAOYSA-N
MW81.12 g/mol
LogP0.12
Rot. Bonds

About 2-azatricyclo[2.1.1.01,4]hexane

2-azatricyclo[2.1.1.01,4]hexane (PubChem CID 148680523) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 2-azatricyclo[2.1.1.01,4]hexane.

Molecular Properties

Compound Name2-azatricyclo[2.1.1.01,4]hexane
PubChem CID148680523
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name2-azatricyclo[2.1.1.01,4]hexane
SMILESC1NC23CC12C3
InChIInChI=1S/C5H7N/c1-4-2-5(1,4)6-3-4/h6H,1-3H2
InChIKeyNRMUJIUKTDWHPG-UHFFFAOYSA-N
XLogP0.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azatricyclo[2.1.1.01,4]hexane?
The IUPAC name of 2-azatricyclo[2.1.1.01,4]hexane (CID 148680523) is 2-azatricyclo[2.1.1.01,4]hexane.
What is the SMILES notation for 2-azatricyclo[2.1.1.01,4]hexane?
The canonical SMILES for 2-azatricyclo[2.1.1.01,4]hexane is C1NC23CC12C3.
What is the InChIKey of 2-azatricyclo[2.1.1.01,4]hexane?
The InChIKey is NRMUJIUKTDWHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-4-2-5(1,4)6-3-4/h6H,1-3H2.
What are the key properties of 2-azatricyclo[2.1.1.01,4]hexane?
2-azatricyclo[2.1.1.01,4]hexane has a molecular weight of 81.12 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatricyclo[2.1.1.01,4]hexane is sourced from PubChem (CID 148680523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).