3-azabicyclo[4.1.0]heptane

C6H11N — CID 20521861

IUPAC3-azabicyclo[4.1.0]heptane
SMILESC1CC2CC2CN1
InChIInChI=1S/C6H11N/c1-2-7-4-6-3-5(1)6/h5-7H,1-4H2
InChIKeyMZFQJBMXUXJUHF-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.62
Rot. Bonds

About 3-azabicyclo[4.1.0]heptane

3-azabicyclo[4.1.0]heptane (PubChem CID 20521861) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-azabicyclo[4.1.0]heptane
PubChem CID20521861
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name3-azabicyclo[4.1.0]heptane
SMILESC1CC2CC2CN1
InChIInChI=1S/C6H11N/c1-2-7-4-6-3-5(1)6/h5-7H,1-4H2
InChIKeyMZFQJBMXUXJUHF-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[4.1.0]heptane?
The IUPAC name of 3-azabicyclo[4.1.0]heptane (CID 20521861) is 3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 3-azabicyclo[4.1.0]heptane is C1CC2CC2CN1.
What is the InChIKey of 3-azabicyclo[4.1.0]heptane?
The InChIKey is MZFQJBMXUXJUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-2-7-4-6-3-5(1)6/h5-7H,1-4H2.
What are the key properties of 3-azabicyclo[4.1.0]heptane?
3-azabicyclo[4.1.0]heptane has a molecular weight of 97.16 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 20521861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).