5-azatricyclo[4.1.0.02,4]heptane

C6H9N — CID 117045887

IUPAC5-azatricyclo[4.1.0.02,4]heptane
SMILESC1C2NC3CC3C12
InChIInChI=1S/C6H9N/c1-3-4-2-6(4)7-5(1)3/h3-7H,1-2H2
InChIKeyMYGNYZYPCFEZJB-UHFFFAOYSA-N
MW95.15 g/mol
LogP0.37
Rot. Bonds

About 5-azatricyclo[4.1.0.02,4]heptane

5-azatricyclo[4.1.0.02,4]heptane (PubChem CID 117045887) has the molecular formula C6H9N and a molecular weight of 95.15 g/mol. Its IUPAC name is 5-azatricyclo[4.1.0.02,4]heptane.

Molecular Properties

Compound Name5-azatricyclo[4.1.0.02,4]heptane
PubChem CID117045887
Molecular FormulaC6H9N
Molecular Weight95.15 g/mol
Exact Mass95.07
IUPAC Name5-azatricyclo[4.1.0.02,4]heptane
SMILESC1C2NC3CC3C12
InChIInChI=1S/C6H9N/c1-3-4-2-6(4)7-5(1)3/h3-7H,1-2H2
InChIKeyMYGNYZYPCFEZJB-UHFFFAOYSA-N
XLogP0.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.15
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-azatricyclo[4.1.0.02,4]heptane?
The IUPAC name of 5-azatricyclo[4.1.0.02,4]heptane (CID 117045887) is 5-azatricyclo[4.1.0.02,4]heptane.
What is the SMILES notation for 5-azatricyclo[4.1.0.02,4]heptane?
The canonical SMILES for 5-azatricyclo[4.1.0.02,4]heptane is C1C2NC3CC3C12.
What is the InChIKey of 5-azatricyclo[4.1.0.02,4]heptane?
The InChIKey is MYGNYZYPCFEZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-3-4-2-6(4)7-5(1)3/h3-7H,1-2H2.
What are the key properties of 5-azatricyclo[4.1.0.02,4]heptane?
5-azatricyclo[4.1.0.02,4]heptane has a molecular weight of 95.15 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azatricyclo[4.1.0.02,4]heptane is sourced from PubChem (CID 117045887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).