1-bromo-3-azabicyclo[3.1.0]hexane

C5H8BrN — CID 151929909

IUPAC1-bromo-3-azabicyclo[3.1.0]hexane
SMILESBrC12CNCC1C2
InChIInChI=1S/C5H8BrN/c6-5-1-4(5)2-7-3-5/h4,7H,1-3H2
InChIKeySYOKXTINCHOVDQ-UHFFFAOYSA-N
MW162.03 g/mol
LogP0.74
Rot. Bonds

About 1-bromo-3-azabicyclo[3.1.0]hexane

1-bromo-3-azabicyclo[3.1.0]hexane (PubChem CID 151929909) has the molecular formula C5H8BrN and a molecular weight of 162.03 g/mol. Its IUPAC name is 1-bromo-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-bromo-3-azabicyclo[3.1.0]hexane
PubChem CID151929909
Molecular FormulaC5H8BrN
Molecular Weight162.03 g/mol
Exact Mass160.98
IUPAC Name1-bromo-3-azabicyclo[3.1.0]hexane
SMILESBrC12CNCC1C2
InChIInChI=1S/C5H8BrN/c6-5-1-4(5)2-7-3-5/h4,7H,1-3H2
InChIKeySYOKXTINCHOVDQ-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
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 1-bromo-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-bromo-3-azabicyclo[3.1.0]hexane (CID 151929909) is 1-bromo-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-bromo-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-bromo-3-azabicyclo[3.1.0]hexane is BrC12CNCC1C2.
What is the InChIKey of 1-bromo-3-azabicyclo[3.1.0]hexane?
The InChIKey is SYOKXTINCHOVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN/c6-5-1-4(5)2-7-3-5/h4,7H,1-3H2.
What are the key properties of 1-bromo-3-azabicyclo[3.1.0]hexane?
1-bromo-3-azabicyclo[3.1.0]hexane has a molecular weight of 162.03 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 151929909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).