3-methoxy-1-oxa-8-azaspiro[4.5]decane;hydrochloride

C9H18ClNO2 — CID 75531113

IUPAC3-methoxy-1-oxa-8-azaspiro[4.5]decane;hydrochloride
SMILESCOC1COC2(CCNCC2)C1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-11-8-6-9(12-7-8)2-4-10-5-3-9;/h8,10H,2-7H2,1H3;1H
InChIKeyOVSBHKIAXFAIDR-UHFFFAOYSA-N
MW207.70 g/mol
LogP0.97
Rot. Bonds1

About 3-methoxy-1-oxa-8-azaspiro[4.5]decane;hydrochloride

3-methoxy-1-oxa-8-azaspiro[4.5]decane;hydrochloride (PubChem CID 75531113) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 3-methoxy-1-oxa-8-azaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name3-methoxy-1-oxa-8-azaspiro[4.5]decane;hydrochloride
PubChem CID75531113
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name3-methoxy-1-oxa-8-azaspiro[4.5]decane;hydrochloride
SMILESCOC1COC2(CCNCC2)C1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-11-8-6-9(12-7-8)2-4-10-5-3-9;/h8,10H,2-7H2,1H3;1H
InChIKeyOVSBHKIAXFAIDR-UHFFFAOYSA-N
XLogP0.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-oxa-8-azaspiro[4.5]decane;hydrochloride?
The IUPAC name of 3-methoxy-1-oxa-8-azaspiro[4.5]decane;hydrochloride (CID 75531113) is 3-methoxy-1-oxa-8-azaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 3-methoxy-1-oxa-8-azaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 3-methoxy-1-oxa-8-azaspiro[4.5]decane;hydrochloride is COC1COC2(CCNCC2)C1.Cl.
What is the InChIKey of 3-methoxy-1-oxa-8-azaspiro[4.5]decane;hydrochloride?
The InChIKey is OVSBHKIAXFAIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-11-8-6-9(12-7-8)2-4-10-5-3-9;/h8,10H,2-7H2,1H3;1H.
What are the key properties of 3-methoxy-1-oxa-8-azaspiro[4.5]decane;hydrochloride?
3-methoxy-1-oxa-8-azaspiro[4.5]decane;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-oxa-8-azaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 75531113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).