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

C7H14ClNO — CID 122163983

IUPAC7-oxa-1-azaspiro[3.5]nonane;hydrochloride
SMILESC1CC2(CCOCC2)N1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-4-8-7(1)2-5-9-6-3-7;/h8H,1-6H2;1H
InChIKeyIVVVSFNWAGZBFA-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.95
Rot. Bonds

About 7-oxa-1-azaspiro[3.5]nonane;hydrochloride

7-oxa-1-azaspiro[3.5]nonane;hydrochloride (PubChem CID 122163983) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 7-oxa-1-azaspiro[3.5]nonane;hydrochloride.

Molecular Properties

Compound Name7-oxa-1-azaspiro[3.5]nonane;hydrochloride
PubChem CID122163983
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name7-oxa-1-azaspiro[3.5]nonane;hydrochloride
SMILESC1CC2(CCOCC2)N1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-4-8-7(1)2-5-9-6-3-7;/h8H,1-6H2;1H
InChIKeyIVVVSFNWAGZBFA-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 7-oxa-1-azaspiro[3.5]nonane;hydrochloride?
The IUPAC name of 7-oxa-1-azaspiro[3.5]nonane;hydrochloride (CID 122163983) is 7-oxa-1-azaspiro[3.5]nonane;hydrochloride.
What is the SMILES notation for 7-oxa-1-azaspiro[3.5]nonane;hydrochloride?
The canonical SMILES for 7-oxa-1-azaspiro[3.5]nonane;hydrochloride is C1CC2(CCOCC2)N1.Cl.
What is the InChIKey of 7-oxa-1-azaspiro[3.5]nonane;hydrochloride?
The InChIKey is IVVVSFNWAGZBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-4-8-7(1)2-5-9-6-3-7;/h8H,1-6H2;1H.
What are the key properties of 7-oxa-1-azaspiro[3.5]nonane;hydrochloride?
7-oxa-1-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 7-oxa-1-azaspiro[3.5]nonane;hydrochloride is sourced from PubChem (CID 122163983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).