5-methyl-2-oxa-7-azaspiro[3.5]nonane

C8H15NO — CID 83959974

IUPAC5-methyl-2-oxa-7-azaspiro[3.5]nonane
SMILESCC1CNCCC12COC2
InChIInChI=1S/C8H15NO/c1-7-4-9-3-2-8(7)5-10-6-8/h7,9H,2-6H2,1H3
InChIKeyKSCWLVXHQVPAEY-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.63
Rot. Bonds

About 5-methyl-2-oxa-7-azaspiro[3.5]nonane

5-methyl-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 83959974) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-methyl-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name5-methyl-2-oxa-7-azaspiro[3.5]nonane
PubChem CID83959974
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-methyl-2-oxa-7-azaspiro[3.5]nonane
SMILESCC1CNCCC12COC2
InChIInChI=1S/C8H15NO/c1-7-4-9-3-2-8(7)5-10-6-8/h7,9H,2-6H2,1H3
InChIKeyKSCWLVXHQVPAEY-UHFFFAOYSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 5-methyl-2-oxa-7-azaspiro[3.5]nonane (CID 83959974) is 5-methyl-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 5-methyl-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 5-methyl-2-oxa-7-azaspiro[3.5]nonane is CC1CNCCC12COC2.
What is the InChIKey of 5-methyl-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is KSCWLVXHQVPAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-4-9-3-2-8(7)5-10-6-8/h7,9H,2-6H2,1H3.
What are the key properties of 5-methyl-2-oxa-7-azaspiro[3.5]nonane?
5-methyl-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 141.21 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 83959974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).