8-methyl-3-oxa-8-azabicyclo[3.2.1]octane

C7H13NO — CID 59091369

IUPAC8-methyl-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1COC2
InChIInChI=1S/C7H13NO/c1-8-6-2-3-7(8)5-9-4-6/h6-7H,2-5H2,1H3
InChIKeyMCBFNYVOJAYSCR-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.48
Rot. Bonds

About 8-methyl-3-oxa-8-azabicyclo[3.2.1]octane

8-methyl-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 59091369) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 8-methyl-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID59091369
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name8-methyl-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1COC2
InChIInChI=1S/C7H13NO/c1-8-6-2-3-7(8)5-9-4-6/h6-7H,2-5H2,1H3
InChIKeyMCBFNYVOJAYSCR-UHFFFAOYSA-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 8-methyl-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-oxa-8-azabicyclo[3.2.1]octane (CID 59091369) is 8-methyl-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-oxa-8-azabicyclo[3.2.1]octane is CN1C2CCC1COC2.
What is the InChIKey of 8-methyl-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is MCBFNYVOJAYSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-6-2-3-7(8)5-9-4-6/h6-7H,2-5H2,1H3.
What are the key properties of 8-methyl-3-oxa-8-azabicyclo[3.2.1]octane?
8-methyl-3-oxa-8-azabicyclo[3.2.1]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 8-methyl-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 59091369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).