3-azabicyclo[3.1.0]hexane

C5H9N — CID 13150523

IUPAC3-azabicyclo[3.1.0]hexane
SMILESC1NCC2CC12
InChIInChI=1S/C5H9N/c1-4-2-6-3-5(1)4/h4-6H,1-3H2
InChIKeyHGWUUOXXAIISDB-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.23
Rot. Bonds

About 3-azabicyclo[3.1.0]hexane

3-azabicyclo[3.1.0]hexane (PubChem CID 13150523) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexane
PubChem CID13150523
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name3-azabicyclo[3.1.0]hexane
SMILESC1NCC2CC12
InChIInChI=1S/C5H9N/c1-4-2-6-3-5(1)4/h4-6H,1-3H2
InChIKeyHGWUUOXXAIISDB-UHFFFAOYSA-N
XLogP0.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-azabicyclo[3.1.0]hexane (CID 13150523) is 3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-azabicyclo[3.1.0]hexane is C1NCC2CC12.
What is the InChIKey of 3-azabicyclo[3.1.0]hexane?
The InChIKey is HGWUUOXXAIISDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-4-2-6-3-5(1)4/h4-6H,1-3H2.
What are the key properties of 3-azabicyclo[3.1.0]hexane?
3-azabicyclo[3.1.0]hexane has a molecular weight of 83.13 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-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 13150523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).