1-oxa-8-azaspiro[3.5]nonane;hydrochloride

C7H14ClNO — CID 86346204

IUPAC1-oxa-8-azaspiro[3.5]nonane;hydrochloride
SMILESC1CNCC2(C1)CCO2.Cl
InChIInChI=1S/C7H13NO.ClH/c1-2-7(3-5-9-7)6-8-4-1;/h8H,1-6H2;1H
InChIKeyGFQGGVYBSDUQNU-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.95
Rot. Bonds

About 1-oxa-8-azaspiro[3.5]nonane;hydrochloride

1-oxa-8-azaspiro[3.5]nonane;hydrochloride (PubChem CID 86346204) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 1-oxa-8-azaspiro[3.5]nonane;hydrochloride.

Molecular Properties

Compound Name1-oxa-8-azaspiro[3.5]nonane;hydrochloride
PubChem CID86346204
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name1-oxa-8-azaspiro[3.5]nonane;hydrochloride
SMILESC1CNCC2(C1)CCO2.Cl
InChIInChI=1S/C7H13NO.ClH/c1-2-7(3-5-9-7)6-8-4-1;/h8H,1-6H2;1H
InChIKeyGFQGGVYBSDUQNU-UHFFFAOYSA-N
XLogP0.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-8-azaspiro[3.5]nonane;hydrochloride?
The IUPAC name of 1-oxa-8-azaspiro[3.5]nonane;hydrochloride (CID 86346204) is 1-oxa-8-azaspiro[3.5]nonane;hydrochloride.
What is the SMILES notation for 1-oxa-8-azaspiro[3.5]nonane;hydrochloride?
The canonical SMILES for 1-oxa-8-azaspiro[3.5]nonane;hydrochloride is C1CNCC2(C1)CCO2.Cl.
What is the InChIKey of 1-oxa-8-azaspiro[3.5]nonane;hydrochloride?
The InChIKey is GFQGGVYBSDUQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-2-7(3-5-9-7)6-8-4-1;/h8H,1-6H2;1H.
What are the key properties of 1-oxa-8-azaspiro[3.5]nonane;hydrochloride?
1-oxa-8-azaspiro[3.5]nonane;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-8-azaspiro[3.5]nonane;hydrochloride is sourced from PubChem (CID 86346204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).