6-iodo-3-azabicyclo[3.1.0]hexane

C5H8IN — CID 130360842

IUPAC6-iodo-3-azabicyclo[3.1.0]hexane
SMILESIC1C2CNCC12
InChIInChI=1S/C5H8IN/c6-5-3-1-7-2-4(3)5/h3-5,7H,1-2H2
InChIKeyIWVFDZHTVXVRLP-UHFFFAOYSA-N
MW209.03 g/mol
LogP0.64
Rot. Bonds

About 6-iodo-3-azabicyclo[3.1.0]hexane

6-iodo-3-azabicyclo[3.1.0]hexane (PubChem CID 130360842) has the molecular formula C5H8IN and a molecular weight of 209.03 g/mol. Its IUPAC name is 6-iodo-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-iodo-3-azabicyclo[3.1.0]hexane
PubChem CID130360842
Molecular FormulaC5H8IN
Molecular Weight209.03 g/mol
Exact Mass208.97
IUPAC Name6-iodo-3-azabicyclo[3.1.0]hexane
SMILESIC1C2CNCC12
InChIInChI=1S/C5H8IN/c6-5-3-1-7-2-4(3)5/h3-5,7H,1-2H2
InChIKeyIWVFDZHTVXVRLP-UHFFFAOYSA-N
XLogP0.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.03
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Azabicyclo[3.1.0]hexane hydrochloride
CID 22335289
2-Azabicyclo[3.1.0]hexane hydrochloride
CID 67358156
3-Azabicyclo(3.1.0)hexane
CID 13150523
2-Azabicyclo[3.1.0]hexane
CID 17783223
1-Fluoro-3-azabicyclo(3.1.0)hexane hydrochloride
CID 84716181
(1R,5S)-3-azabicyclo[3.1.0]hexane
CID 13150524
(1S,5R)-2-Azabicyclo[3.1.0]hexane
CID 51980285
4-(Iodomethyl)piperidine
CID 53346620
6-(Fluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 50988622
(1R,5S)-6-fluoro-3-azabicyclo[3.1.0]hexane
CID 66837540
6-Fluoro-3-azabicyclo[3.1.0]hexane
CID 77194715
1-Fluoro-3-azabicyclo[3.1.0]hexane
CID 84715970

Frequently Asked Questions

What is the IUPAC name of 6-iodo-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-iodo-3-azabicyclo[3.1.0]hexane (CID 130360842) is 6-iodo-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-iodo-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-iodo-3-azabicyclo[3.1.0]hexane is IC1C2CNCC12.
What is the InChIKey of 6-iodo-3-azabicyclo[3.1.0]hexane?
The InChIKey is IWVFDZHTVXVRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8IN/c6-5-3-1-7-2-4(3)5/h3-5,7H,1-2H2.
What are the key properties of 6-iodo-3-azabicyclo[3.1.0]hexane?
6-iodo-3-azabicyclo[3.1.0]hexane has a molecular weight of 209.03 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 130360842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).