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

C7H13NO — CID 20789957

IUPAC3-methyl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCN1CC2CCC(C1)O2
InChIInChI=1S/C7H13NO/c1-8-4-6-2-3-7(5-8)9-6/h6-7H,2-5H2,1H3
InChIKeyXJZDIZQNHVHDKM-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.48
Rot. Bonds

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

3-methyl-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 20789957) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-methyl-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methyl-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID20789957
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-methyl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCN1CC2CCC(C1)O2
InChIInChI=1S/C7H13NO/c1-8-4-6-2-3-7(5-8)9-6/h6-7H,2-5H2,1H3
InChIKeyXJZDIZQNHVHDKM-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 3-methyl-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-methyl-8-oxa-3-azabicyclo[3.2.1]octane (CID 20789957) is 3-methyl-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-methyl-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-methyl-8-oxa-3-azabicyclo[3.2.1]octane is CN1CC2CCC(C1)O2.
What is the InChIKey of 3-methyl-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is XJZDIZQNHVHDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-4-6-2-3-7(5-8)9-6/h6-7H,2-5H2,1H3.
What are the key properties of 3-methyl-8-oxa-3-azabicyclo[3.2.1]octane?
3-methyl-8-oxa-3-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 3-methyl-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 20789957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).