1-oxa-9-azaspiro[5.5]undecane;hydrochloride

C9H18ClNO — CID 74889693

IUPAC1-oxa-9-azaspiro[5.5]undecane;hydrochloride
SMILESC1CCC2(CCNCC2)OC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-2-8-11-9(3-1)4-6-10-7-5-9;/h10H,1-8H2;1H
InChIKeyVXFFBJUXICMNBV-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.73
Rot. Bonds

About 1-oxa-9-azaspiro[5.5]undecane;hydrochloride

1-oxa-9-azaspiro[5.5]undecane;hydrochloride (PubChem CID 74889693) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 1-oxa-9-azaspiro[5.5]undecane;hydrochloride.

Molecular Properties

Compound Name1-oxa-9-azaspiro[5.5]undecane;hydrochloride
PubChem CID74889693
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name1-oxa-9-azaspiro[5.5]undecane;hydrochloride
SMILESC1CCC2(CCNCC2)OC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-2-8-11-9(3-1)4-6-10-7-5-9;/h10H,1-8H2;1H
InChIKeyVXFFBJUXICMNBV-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-9-azaspiro[5.5]undecane;hydrochloride?
The IUPAC name of 1-oxa-9-azaspiro[5.5]undecane;hydrochloride (CID 74889693) is 1-oxa-9-azaspiro[5.5]undecane;hydrochloride.
What is the SMILES notation for 1-oxa-9-azaspiro[5.5]undecane;hydrochloride?
The canonical SMILES for 1-oxa-9-azaspiro[5.5]undecane;hydrochloride is C1CCC2(CCNCC2)OC1.Cl.
What is the InChIKey of 1-oxa-9-azaspiro[5.5]undecane;hydrochloride?
The InChIKey is VXFFBJUXICMNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-2-8-11-9(3-1)4-6-10-7-5-9;/h10H,1-8H2;1H.
What are the key properties of 1-oxa-9-azaspiro[5.5]undecane;hydrochloride?
1-oxa-9-azaspiro[5.5]undecane;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-9-azaspiro[5.5]undecane;hydrochloride is sourced from PubChem (CID 74889693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).