(1S,5R)-2-azabicyclo[3.1.0]hexane

C5H9N — CID 51980285

IUPAC(1S,5R)-2-azabicyclo[3.1.0]hexane
SMILESC1C[C@@H]2C[C@@H]2N1
InChIInChI=1S/C5H9N/c1-2-6-5-3-4(1)5/h4-6H,1-3H2/t4-,5+/m1/s1
InChIKeyWSSDGZWSPMAECX-UHNVWZDZSA-N
MW83.13 g/mol
LogP0.37
Rot. Bonds

About (1S,5R)-2-azabicyclo[3.1.0]hexane

(1S,5R)-2-azabicyclo[3.1.0]hexane (PubChem CID 51980285) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is (1S,5R)-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-2-azabicyclo[3.1.0]hexane
PubChem CID51980285
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name(1S,5R)-2-azabicyclo[3.1.0]hexane
SMILESC1C[C@@H]2C[C@@H]2N1
InChIInChI=1S/C5H9N/c1-2-6-5-3-4(1)5/h4-6H,1-3H2/t4-,5+/m1/s1
InChIKeyWSSDGZWSPMAECX-UHNVWZDZSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-2-azabicyclo[3.1.0]hexane (CID 51980285) is (1S,5R)-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-2-azabicyclo[3.1.0]hexane is C1C[C@@H]2C[C@@H]2N1.
What is the InChIKey of (1S,5R)-2-azabicyclo[3.1.0]hexane?
The InChIKey is WSSDGZWSPMAECX-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H9N/c1-2-6-5-3-4(1)5/h4-6H,1-3H2/t4-,5+/m1/s1.
What are the key properties of (1S,5R)-2-azabicyclo[3.1.0]hexane?
(1S,5R)-2-azabicyclo[3.1.0]hexane has a molecular weight of 83.13 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 (1S,5R)-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 51980285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).