6-iodo-3-oxa-6-azabicyclo[3.2.1]octane

C6H10INO — CID 146725261

IUPAC6-iodo-3-oxa-6-azabicyclo[3.2.1]octane
SMILESIN1CC2COCC1C2
InChIInChI=1S/C6H10INO/c7-8-2-5-1-6(8)4-9-3-5/h5-6H,1-4H2
InChIKeyRGFYVERGQNGQAU-UHFFFAOYSA-N
MW239.06 g/mol
LogP1.06
Rot. Bonds

About 6-iodo-3-oxa-6-azabicyclo[3.2.1]octane

6-iodo-3-oxa-6-azabicyclo[3.2.1]octane (PubChem CID 146725261) has the molecular formula C6H10INO and a molecular weight of 239.06 g/mol. Its IUPAC name is 6-iodo-3-oxa-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-iodo-3-oxa-6-azabicyclo[3.2.1]octane
PubChem CID146725261
Molecular FormulaC6H10INO
Molecular Weight239.06 g/mol
Exact Mass238.98
IUPAC Name6-iodo-3-oxa-6-azabicyclo[3.2.1]octane
SMILESIN1CC2COCC1C2
InChIInChI=1S/C6H10INO/c7-8-2-5-1-6(8)4-9-3-5/h5-6H,1-4H2
InChIKeyRGFYVERGQNGQAU-UHFFFAOYSA-N
XLogP1.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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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Related Compounds

3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
CID 123275553
3-oxabicyclo[3.2.1]octane;hydrochloride
CID 118591405
(1S,5R)-7-(chloromethyl)-3-oxabicyclo[3.3.1]nonane
CID 102479443
9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 67212442
ethane;3-methyl-1-(oxetan-3-yl)azetidine
CID 144739984
(1S,5R)-6-tert-butyl-3-oxa-6-azabicyclo[3.1.1]heptane
CID 129150641
1-iodo-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine
CID 166797027
ethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane
CID 171824253
(7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 143829898
6-methoxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane
CID 156546191
6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
CID 154022577
3-oxa-6-azabicyclo[3.1.1]heptane-6-carboxylic acid
CID 176998783

Frequently Asked Questions

What is the IUPAC name of 6-iodo-3-oxa-6-azabicyclo[3.2.1]octane?
The IUPAC name of 6-iodo-3-oxa-6-azabicyclo[3.2.1]octane (CID 146725261) is 6-iodo-3-oxa-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-iodo-3-oxa-6-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-iodo-3-oxa-6-azabicyclo[3.2.1]octane is IN1CC2COCC1C2.
What is the InChIKey of 6-iodo-3-oxa-6-azabicyclo[3.2.1]octane?
The InChIKey is RGFYVERGQNGQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO/c7-8-2-5-1-6(8)4-9-3-5/h5-6H,1-4H2.
What are the key properties of 6-iodo-3-oxa-6-azabicyclo[3.2.1]octane?
6-iodo-3-oxa-6-azabicyclo[3.2.1]octane has a molecular weight of 239.06 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-oxa-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 146725261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).