2-oxa-8-azaspiro[5.5]undecane;hydrochloride

C9H18ClNO — CID 71743839

IUPAC2-oxa-8-azaspiro[5.5]undecane;hydrochloride
SMILESC1CNCC2(C1)CCCOC2.Cl
InChIInChI=1S/C9H17NO.ClH/c1-3-9(7-10-5-1)4-2-6-11-8-9;/h10H,1-8H2;1H
InChIKeyKSYVCAYVFXCPSF-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.59
Rot. Bonds

About 2-oxa-8-azaspiro[5.5]undecane;hydrochloride

2-oxa-8-azaspiro[5.5]undecane;hydrochloride (PubChem CID 71743839) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-oxa-8-azaspiro[5.5]undecane;hydrochloride.

Molecular Properties

Compound Name2-oxa-8-azaspiro[5.5]undecane;hydrochloride
PubChem CID71743839
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-oxa-8-azaspiro[5.5]undecane;hydrochloride
SMILESC1CNCC2(C1)CCCOC2.Cl
InChIInChI=1S/C9H17NO.ClH/c1-3-9(7-10-5-1)4-2-6-11-8-9;/h10H,1-8H2;1H
InChIKeyKSYVCAYVFXCPSF-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

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Related Compounds

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CID 21050542
6-oxa-2-azaspiro[3.7]undecane
CID 118209759
7-azaspiro[4.6]undecane;hydrochloride
CID 138039788
(5R)-2,9-diazaspiro[4.5]decane
CID 86326439
7-azaspiro[4.6]undecane
CID 75488634
2,9-dioxaspiro[4.6]undecane
CID 118210519
2,9-diazaspiro[4.5]decane;methane
CID 143578856
2-oxa-7-azaspiro[4.4]nonane;oxalic acid
CID 171322884
2,2-difluoro-6-azaspiro[3.5]nonane;hydrochloride
CID 163197098
tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate
CID 71305747
10-oxa-1,7-diazaspiro[4.6]undecane
CID 118210142
1,10-dioxa-7-azaspiro[4.6]undecane
CID 118210191

Frequently Asked Questions

What is the IUPAC name of 2-oxa-8-azaspiro[5.5]undecane;hydrochloride?
The IUPAC name of 2-oxa-8-azaspiro[5.5]undecane;hydrochloride (CID 71743839) is 2-oxa-8-azaspiro[5.5]undecane;hydrochloride.
What is the SMILES notation for 2-oxa-8-azaspiro[5.5]undecane;hydrochloride?
The canonical SMILES for 2-oxa-8-azaspiro[5.5]undecane;hydrochloride is C1CNCC2(C1)CCCOC2.Cl.
What is the InChIKey of 2-oxa-8-azaspiro[5.5]undecane;hydrochloride?
The InChIKey is KSYVCAYVFXCPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-3-9(7-10-5-1)4-2-6-11-8-9;/h10H,1-8H2;1H.
What are the key properties of 2-oxa-8-azaspiro[5.5]undecane;hydrochloride?
2-oxa-8-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 2-oxa-8-azaspiro[5.5]undecane;hydrochloride is sourced from PubChem (CID 71743839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).