2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane

C6H10INO — CID 167275781

IUPAC2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane
SMILESCOC1C2CC1N(I)C2
InChIInChI=1S/C6H10INO/c1-9-6-4-2-5(6)8(7)3-4/h4-6H,2-3H2,1H3
InChIKeyJYVIWIFTGYWNPG-UHFFFAOYSA-N
MW239.06 g/mol
LogP1.06
Rot. Bonds1

About 2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane

2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane (PubChem CID 167275781) has the molecular formula C6H10INO and a molecular weight of 239.06 g/mol. Its IUPAC name is 2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane
PubChem CID167275781
Molecular FormulaC6H10INO
Molecular Weight239.06 g/mol
Exact Mass238.98
IUPAC Name2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane
SMILESCOC1C2CC1N(I)C2
InChIInChI=1S/C6H10INO/c1-9-6-4-2-5(6)8(7)3-4/h4-6H,2-3H2,1H3
InChIKeyJYVIWIFTGYWNPG-UHFFFAOYSA-N
XLogP1.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane (CID 167275781) is 2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane is COC1C2CC1N(I)C2.
What is the InChIKey of 2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane?
The InChIKey is JYVIWIFTGYWNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO/c1-9-6-4-2-5(6)8(7)3-4/h4-6H,2-3H2,1H3.
What are the key properties of 2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane?
2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane has a molecular weight of 239.06 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-methoxy-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 167275781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).