7-methoxy-5-azaspiro[3.4]octane

C8H15NO — CID 155978496

IUPAC7-methoxy-5-azaspiro[3.4]octane
SMILESCOC1CNC2(CCC2)C1
InChIInChI=1S/C8H15NO/c1-10-7-5-8(9-6-7)3-2-4-8/h7,9H,2-6H2,1H3
InChIKeyILMVIRYAEAQRBR-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.92
Rot. Bonds1

About 7-methoxy-5-azaspiro[3.4]octane

7-methoxy-5-azaspiro[3.4]octane (PubChem CID 155978496) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 7-methoxy-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-methoxy-5-azaspiro[3.4]octane
PubChem CID155978496
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name7-methoxy-5-azaspiro[3.4]octane
SMILESCOC1CNC2(CCC2)C1
InChIInChI=1S/C8H15NO/c1-10-7-5-8(9-6-7)3-2-4-8/h7,9H,2-6H2,1H3
InChIKeyILMVIRYAEAQRBR-UHFFFAOYSA-N
XLogP0.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-azaspiro[3.4]octane?
The IUPAC name of 7-methoxy-5-azaspiro[3.4]octane (CID 155978496) is 7-methoxy-5-azaspiro[3.4]octane.
What is the SMILES notation for 7-methoxy-5-azaspiro[3.4]octane?
The canonical SMILES for 7-methoxy-5-azaspiro[3.4]octane is COC1CNC2(CCC2)C1.
What is the InChIKey of 7-methoxy-5-azaspiro[3.4]octane?
The InChIKey is ILMVIRYAEAQRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-10-7-5-8(9-6-7)3-2-4-8/h7,9H,2-6H2,1H3.
What are the key properties of 7-methoxy-5-azaspiro[3.4]octane?
7-methoxy-5-azaspiro[3.4]octane has a molecular weight of 141.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-azaspiro[3.4]octane is sourced from PubChem (CID 155978496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).