(8R,9S)-6-azaspiro[4.5]decane-8,9-diol;hydrochloride

C9H18ClNO2 — CID 139026796

IUPAC(8R,9S)-6-azaspiro[4.5]decane-8,9-diol;hydrochloride
SMILESCl.O[C@@H]1CNC2(CCCC2)C[C@@H]1O
InChIInChI=1S/C9H17NO2.ClH/c11-7-5-9(3-1-2-4-9)10-6-8(7)12;/h7-8,10-12H,1-6H2;1H/t7-,8+;/m0./s1
InChIKeyHEPYDZAPQYXBIR-KZYPOYLOSA-N
MW207.70 g/mol
LogP0.44
Rot. Bonds

About (8R,9S)-6-azaspiro[4.5]decane-8,9-diol;hydrochloride

(8R,9S)-6-azaspiro[4.5]decane-8,9-diol;hydrochloride (PubChem CID 139026796) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is (8R,9S)-6-azaspiro[4.5]decane-8,9-diol;hydrochloride.

Molecular Properties

Compound Name(8R,9S)-6-azaspiro[4.5]decane-8,9-diol;hydrochloride
PubChem CID139026796
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name(8R,9S)-6-azaspiro[4.5]decane-8,9-diol;hydrochloride
SMILESCl.O[C@@H]1CNC2(CCCC2)C[C@@H]1O
InChIInChI=1S/C9H17NO2.ClH/c11-7-5-9(3-1-2-4-9)10-6-8(7)12;/h7-8,10-12H,1-6H2;1H/t7-,8+;/m0./s1
InChIKeyHEPYDZAPQYXBIR-KZYPOYLOSA-N
XLogP0.44
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8R,9S)-6-azaspiro[4.5]decane-8,9-diol;hydrochloride?
The IUPAC name of (8R,9S)-6-azaspiro[4.5]decane-8,9-diol;hydrochloride (CID 139026796) is (8R,9S)-6-azaspiro[4.5]decane-8,9-diol;hydrochloride.
What is the SMILES notation for (8R,9S)-6-azaspiro[4.5]decane-8,9-diol;hydrochloride?
The canonical SMILES for (8R,9S)-6-azaspiro[4.5]decane-8,9-diol;hydrochloride is Cl.O[C@@H]1CNC2(CCCC2)C[C@@H]1O.
What is the InChIKey of (8R,9S)-6-azaspiro[4.5]decane-8,9-diol;hydrochloride?
The InChIKey is HEPYDZAPQYXBIR-KZYPOYLOSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c11-7-5-9(3-1-2-4-9)10-6-8(7)12;/h7-8,10-12H,1-6H2;1H/t7-,8+;/m0./s1.
What are the key properties of (8R,9S)-6-azaspiro[4.5]decane-8,9-diol;hydrochloride?
(8R,9S)-6-azaspiro[4.5]decane-8,9-diol;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 0.44, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S)-6-azaspiro[4.5]decane-8,9-diol;hydrochloride is sourced from PubChem (CID 139026796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).