1-methyl-9-oxa-1-azaspiro[5.5]undecane

C10H19NO — CID 90349687

IUPAC1-methyl-9-oxa-1-azaspiro[5.5]undecane
SMILESCN1CCCCC12CCOCC2
InChIInChI=1S/C10H19NO/c1-11-7-3-2-4-10(11)5-8-12-9-6-10/h2-9H2,1H3
InChIKeyPPOVLOPRFXZRET-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.65
Rot. Bonds

About 1-methyl-9-oxa-1-azaspiro[5.5]undecane

1-methyl-9-oxa-1-azaspiro[5.5]undecane (PubChem CID 90349687) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-methyl-9-oxa-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name1-methyl-9-oxa-1-azaspiro[5.5]undecane
PubChem CID90349687
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-methyl-9-oxa-1-azaspiro[5.5]undecane
SMILESCN1CCCCC12CCOCC2
InChIInChI=1S/C10H19NO/c1-11-7-3-2-4-10(11)5-8-12-9-6-10/h2-9H2,1H3
InChIKeyPPOVLOPRFXZRET-UHFFFAOYSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-oxa-1-azaspiro[5.5]undecane?
The IUPAC name of 1-methyl-9-oxa-1-azaspiro[5.5]undecane (CID 90349687) is 1-methyl-9-oxa-1-azaspiro[5.5]undecane.
What is the SMILES notation for 1-methyl-9-oxa-1-azaspiro[5.5]undecane?
The canonical SMILES for 1-methyl-9-oxa-1-azaspiro[5.5]undecane is CN1CCCCC12CCOCC2.
What is the InChIKey of 1-methyl-9-oxa-1-azaspiro[5.5]undecane?
The InChIKey is PPOVLOPRFXZRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-7-3-2-4-10(11)5-8-12-9-6-10/h2-9H2,1H3.
What are the key properties of 1-methyl-9-oxa-1-azaspiro[5.5]undecane?
1-methyl-9-oxa-1-azaspiro[5.5]undecane has a molecular weight of 169.27 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-oxa-1-azaspiro[5.5]undecane is sourced from PubChem (CID 90349687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).