9-oxa-1-azaspiro[5.5]undecane;hydrochloride

C9H18ClNO — CID 115018843

IUPAC9-oxa-1-azaspiro[5.5]undecane;hydrochloride
SMILESC1CCC2(CCOCC2)NC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-2-6-10-9(3-1)4-7-11-8-5-9;/h10H,1-8H2;1H
InChIKeyQWFOXRMCAVGLIB-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.73
Rot. Bonds

About 9-oxa-1-azaspiro[5.5]undecane;hydrochloride

9-oxa-1-azaspiro[5.5]undecane;hydrochloride (PubChem CID 115018843) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 9-oxa-1-azaspiro[5.5]undecane;hydrochloride.

Molecular Properties

Compound Name9-oxa-1-azaspiro[5.5]undecane;hydrochloride
PubChem CID115018843
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name9-oxa-1-azaspiro[5.5]undecane;hydrochloride
SMILESC1CCC2(CCOCC2)NC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-2-6-10-9(3-1)4-7-11-8-5-9;/h10H,1-8H2;1H
InChIKeyQWFOXRMCAVGLIB-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-oxa-1-azaspiro[5.5]undecane;hydrochloride?
The IUPAC name of 9-oxa-1-azaspiro[5.5]undecane;hydrochloride (CID 115018843) is 9-oxa-1-azaspiro[5.5]undecane;hydrochloride.
What is the SMILES notation for 9-oxa-1-azaspiro[5.5]undecane;hydrochloride?
The canonical SMILES for 9-oxa-1-azaspiro[5.5]undecane;hydrochloride is C1CCC2(CCOCC2)NC1.Cl.
What is the InChIKey of 9-oxa-1-azaspiro[5.5]undecane;hydrochloride?
The InChIKey is QWFOXRMCAVGLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-2-6-10-9(3-1)4-7-11-8-5-9;/h10H,1-8H2;1H.
What are the key properties of 9-oxa-1-azaspiro[5.5]undecane;hydrochloride?
9-oxa-1-azaspiro[5.5]undecane;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-1-azaspiro[5.5]undecane;hydrochloride is sourced from PubChem (CID 115018843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).