3-azatricyclo[3.2.0.01,6]heptane

C6H9N — CID 137366137

IUPAC3-azatricyclo[3.2.0.01,6]heptane
SMILESC1NCC23CC2C13
InChIInChI=1S/C6H9N/c1-4-5-2-7-3-6(1,4)5/h4-5,7H,1-3H2
InChIKeyHSKXBRLEKQVAND-UHFFFAOYSA-N
MW95.15 g/mol
LogP0.23
Rot. Bonds

About 3-azatricyclo[3.2.0.01,6]heptane

3-azatricyclo[3.2.0.01,6]heptane (PubChem CID 137366137) has the molecular formula C6H9N and a molecular weight of 95.15 g/mol. Its IUPAC name is 3-azatricyclo[3.2.0.01,6]heptane.

Molecular Properties

Compound Name3-azatricyclo[3.2.0.01,6]heptane
PubChem CID137366137
Molecular FormulaC6H9N
Molecular Weight95.15 g/mol
Exact Mass95.07
IUPAC Name3-azatricyclo[3.2.0.01,6]heptane
SMILESC1NCC23CC2C13
InChIInChI=1S/C6H9N/c1-4-5-2-7-3-6(1,4)5/h4-5,7H,1-3H2
InChIKeyHSKXBRLEKQVAND-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-azatricyclo[3.2.0.01,6]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-azatricyclo[3.2.0.01,6]heptane?
The IUPAC name of 3-azatricyclo[3.2.0.01,6]heptane (CID 137366137) is 3-azatricyclo[3.2.0.01,6]heptane.
What is the SMILES notation for 3-azatricyclo[3.2.0.01,6]heptane?
The canonical SMILES for 3-azatricyclo[3.2.0.01,6]heptane is C1NCC23CC2C13.
What is the InChIKey of 3-azatricyclo[3.2.0.01,6]heptane?
The InChIKey is HSKXBRLEKQVAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-4-5-2-7-3-6(1,4)5/h4-5,7H,1-3H2.
What are the key properties of 3-azatricyclo[3.2.0.01,6]heptane?
3-azatricyclo[3.2.0.01,6]heptane has a molecular weight of 95.15 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azatricyclo[3.2.0.01,6]heptane is sourced from PubChem (CID 137366137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).