(4R)-5-methyl-2-oxa-5-azabicyclo[2.2.2]octane

C7H13NO — CID 58095492

IUPAC(4R)-5-methyl-2-oxa-5-azabicyclo[2.2.2]octane
SMILESCN1CC2CC[C@@H]1CO2
InChIInChI=1S/C7H13NO/c1-8-4-7-3-2-6(8)5-9-7/h6-7H,2-5H2,1H3/t6-,7?/m1/s1
InChIKeyHRAVWBBMZIZBBF-ULUSZKPHSA-N
MW127.19 g/mol
LogP0.48
Rot. Bonds

About (4R)-5-methyl-2-oxa-5-azabicyclo[2.2.2]octane

(4R)-5-methyl-2-oxa-5-azabicyclo[2.2.2]octane (PubChem CID 58095492) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (4R)-5-methyl-2-oxa-5-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(4R)-5-methyl-2-oxa-5-azabicyclo[2.2.2]octane
PubChem CID58095492
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(4R)-5-methyl-2-oxa-5-azabicyclo[2.2.2]octane
SMILESCN1CC2CC[C@@H]1CO2
InChIInChI=1S/C7H13NO/c1-8-4-7-3-2-6(8)5-9-7/h6-7H,2-5H2,1H3/t6-,7?/m1/s1
InChIKeyHRAVWBBMZIZBBF-ULUSZKPHSA-N
XLogP0.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-methyl-2-oxa-5-azabicyclo[2.2.2]octane?
The IUPAC name of (4R)-5-methyl-2-oxa-5-azabicyclo[2.2.2]octane (CID 58095492) is (4R)-5-methyl-2-oxa-5-azabicyclo[2.2.2]octane.
What is the SMILES notation for (4R)-5-methyl-2-oxa-5-azabicyclo[2.2.2]octane?
The canonical SMILES for (4R)-5-methyl-2-oxa-5-azabicyclo[2.2.2]octane is CN1CC2CC[C@@H]1CO2.
What is the InChIKey of (4R)-5-methyl-2-oxa-5-azabicyclo[2.2.2]octane?
The InChIKey is HRAVWBBMZIZBBF-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-4-7-3-2-6(8)5-9-7/h6-7H,2-5H2,1H3/t6-,7?/m1/s1.
What are the key properties of (4R)-5-methyl-2-oxa-5-azabicyclo[2.2.2]octane?
(4R)-5-methyl-2-oxa-5-azabicyclo[2.2.2]octane has a molecular weight of 127.19 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-methyl-2-oxa-5-azabicyclo[2.2.2]octane is sourced from PubChem (CID 58095492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).