8-oxa-4-azaspiro[2.6]nonane;hydrochloride

C7H14ClNO — CID 119031117

IUPAC8-oxa-4-azaspiro[2.6]nonane;hydrochloride
SMILESC1CNC2(CC2)COC1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-4-8-7(2-3-7)6-9-5-1;/h8H,1-6H2;1H
InChIKeyQLSBVOIGNVZLCP-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.95
Rot. Bonds

About 8-oxa-4-azaspiro[2.6]nonane;hydrochloride

8-oxa-4-azaspiro[2.6]nonane;hydrochloride (PubChem CID 119031117) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 8-oxa-4-azaspiro[2.6]nonane;hydrochloride.

Molecular Properties

Compound Name8-oxa-4-azaspiro[2.6]nonane;hydrochloride
PubChem CID119031117
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name8-oxa-4-azaspiro[2.6]nonane;hydrochloride
SMILESC1CNC2(CC2)COC1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-4-8-7(2-3-7)6-9-5-1;/h8H,1-6H2;1H
InChIKeyQLSBVOIGNVZLCP-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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Related Compounds

2,10-dioxa-6-azaspiro[4.6]undecane
CID 118209581
7-oxa-4-azaspiro[2.5]octane;hydrochloride
CID 22342972
7,10-dioxa-1-azaspiro[4.6]undecane
CID 118210203
2-oxa-5-azaspiro[3.4]octane;hydrochloride
CID 163197887
2-oxa-5-azaspiro[3.4]octane
CID 54759126
10-oxa-1,7-diazaspiro[4.6]undecane
CID 118210142
bis(7-oxa-1-azaspiro[3.4]octane);oxalic acid
CID 91663917
bis(7-oxa-1-azaspiro[3.4]octane);oxalate
CID 122714495
(3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride
CID 170911656
7-oxa-1-azaspiro[3.5]nonane;hydrochloride
CID 122163983
2-oxa-8-azaspiro[5.5]undecane;hydrochloride
CID 71743839
4-azaspiro[2.5]octane
CID 20522183

Frequently Asked Questions

What is the IUPAC name of 8-oxa-4-azaspiro[2.6]nonane;hydrochloride?
The IUPAC name of 8-oxa-4-azaspiro[2.6]nonane;hydrochloride (CID 119031117) is 8-oxa-4-azaspiro[2.6]nonane;hydrochloride.
What is the SMILES notation for 8-oxa-4-azaspiro[2.6]nonane;hydrochloride?
The canonical SMILES for 8-oxa-4-azaspiro[2.6]nonane;hydrochloride is C1CNC2(CC2)COC1.Cl.
What is the InChIKey of 8-oxa-4-azaspiro[2.6]nonane;hydrochloride?
The InChIKey is QLSBVOIGNVZLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-4-8-7(2-3-7)6-9-5-1;/h8H,1-6H2;1H.
What are the key properties of 8-oxa-4-azaspiro[2.6]nonane;hydrochloride?
8-oxa-4-azaspiro[2.6]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 8-oxa-4-azaspiro[2.6]nonane;hydrochloride is sourced from PubChem (CID 119031117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).