9-oxa-2-azaspiro[5.5]undecane;hydrochloride

C9H18ClNO — CID 75485290

IUPAC9-oxa-2-azaspiro[5.5]undecane;hydrochloride
SMILESC1CNCC2(C1)CCOCC2.Cl
InChIInChI=1S/C9H17NO.ClH/c1-2-9(8-10-5-1)3-6-11-7-4-9;/h10H,1-8H2;1H
InChIKeyKRRBWMMAXOGOJA-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.59
Rot. Bonds

About 9-oxa-2-azaspiro[5.5]undecane;hydrochloride

9-oxa-2-azaspiro[5.5]undecane;hydrochloride (PubChem CID 75485290) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 9-oxa-2-azaspiro[5.5]undecane;hydrochloride.

Molecular Properties

Compound Name9-oxa-2-azaspiro[5.5]undecane;hydrochloride
PubChem CID75485290
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name9-oxa-2-azaspiro[5.5]undecane;hydrochloride
SMILESC1CNCC2(C1)CCOCC2.Cl
InChIInChI=1S/C9H17NO.ClH/c1-2-9(8-10-5-1)3-6-11-7-4-9;/h10H,1-8H2;1H
InChIKeyKRRBWMMAXOGOJA-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-oxa-2-azaspiro[5.5]undecane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-oxa-2-azaspiro[5.5]undecane;hydrochloride?
The IUPAC name of 9-oxa-2-azaspiro[5.5]undecane;hydrochloride (CID 75485290) is 9-oxa-2-azaspiro[5.5]undecane;hydrochloride.
What is the SMILES notation for 9-oxa-2-azaspiro[5.5]undecane;hydrochloride?
The canonical SMILES for 9-oxa-2-azaspiro[5.5]undecane;hydrochloride is C1CNCC2(C1)CCOCC2.Cl.
What is the InChIKey of 9-oxa-2-azaspiro[5.5]undecane;hydrochloride?
The InChIKey is KRRBWMMAXOGOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-2-9(8-10-5-1)3-6-11-7-4-9;/h10H,1-8H2;1H.
What are the key properties of 9-oxa-2-azaspiro[5.5]undecane;hydrochloride?
9-oxa-2-azaspiro[5.5]undecane;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-2-azaspiro[5.5]undecane;hydrochloride is sourced from PubChem (CID 75485290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).