(1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexane

C5H8BrN — CID 125448917

IUPAC(1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexane
SMILESBrC1[C@H]2CNC[C@@H]12
InChIInChI=1S/C5H8BrN/c6-5-3-1-7-2-4(3)5/h3-5,7H,1-2H2/t3-,4+,5?
InChIKeyUMKRSNXAKMSWQP-NGQZWQHPSA-N
MW162.03 g/mol
LogP0.60
Rot. Bonds

About (1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexane

(1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexane (PubChem CID 125448917) has the molecular formula C5H8BrN and a molecular weight of 162.03 g/mol. Its IUPAC name is (1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexane
PubChem CID125448917
Molecular FormulaC5H8BrN
Molecular Weight162.03 g/mol
Exact Mass160.98
IUPAC Name(1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexane
SMILESBrC1[C@H]2CNC[C@@H]12
InChIInChI=1S/C5H8BrN/c6-5-3-1-7-2-4(3)5/h3-5,7H,1-2H2/t3-,4+,5?
InChIKeyUMKRSNXAKMSWQP-NGQZWQHPSA-N
XLogP0.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.03
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexane (CID 125448917) is (1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexane is BrC1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexane?
The InChIKey is UMKRSNXAKMSWQP-NGQZWQHPSA-N. The full InChI is InChI=1S/C5H8BrN/c6-5-3-1-7-2-4(3)5/h3-5,7H,1-2H2/t3-,4+,5?.
What are the key properties of (1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexane?
(1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexane has a molecular weight of 162.03 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 125448917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).