1-azaspiro[4.4]nonan-3-ol;hydrochloride

C8H16ClNO — CID 115015037

IUPAC1-azaspiro[4.4]nonan-3-ol;hydrochloride
SMILESCl.OC1CNC2(CCCC2)C1
InChIInChI=1S/C8H15NO.ClH/c10-7-5-8(9-6-7)3-1-2-4-8;/h7,9-10H,1-6H2;1H
InChIKeyPOICLEUMZBMXCZ-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.08
Rot. Bonds

About 1-azaspiro[4.4]nonan-3-ol;hydrochloride

1-azaspiro[4.4]nonan-3-ol;hydrochloride (PubChem CID 115015037) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 1-azaspiro[4.4]nonan-3-ol;hydrochloride.

Molecular Properties

Compound Name1-azaspiro[4.4]nonan-3-ol;hydrochloride
PubChem CID115015037
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name1-azaspiro[4.4]nonan-3-ol;hydrochloride
SMILESCl.OC1CNC2(CCCC2)C1
InChIInChI=1S/C8H15NO.ClH/c10-7-5-8(9-6-7)3-1-2-4-8;/h7,9-10H,1-6H2;1H
InChIKeyPOICLEUMZBMXCZ-UHFFFAOYSA-N
XLogP1.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,4S)-2-butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 168289800
1-Azaspiro(4.4)nonan-4-ol
CID 83826261
(2R,3R,4R)-2-butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 168295190
1-Azaspiro(4.5)decan-4-ol
CID 53711419
2-Azaspiro(4.4)nonan-4-ol
CID 105428259
{2-Azaspiro[4.4]nonan-3-yl}methanol
CID 105430375
2-(Pyrrolidin-2-yl)cyclopentan-1-ol
CID 79544526
1-Azaspiro[4.6]undecan-4-ol
CID 83827142
5-Azaspiro[3.4]octan-7-ol hydrochloride
CID 138040408
5-Azaspiro[3.4]octan-8-ol hydrochloride
CID 138990968
rac-(8R,9S)-6-azaspiro(4.5)decane-8,9-diol hydrochloride
CID 139026796
5,5-Diethylpyrrolidin-3-ol hydrochloride
CID 165944595

Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[4.4]nonan-3-ol;hydrochloride?
The IUPAC name of 1-azaspiro[4.4]nonan-3-ol;hydrochloride (CID 115015037) is 1-azaspiro[4.4]nonan-3-ol;hydrochloride.
What is the SMILES notation for 1-azaspiro[4.4]nonan-3-ol;hydrochloride?
The canonical SMILES for 1-azaspiro[4.4]nonan-3-ol;hydrochloride is Cl.OC1CNC2(CCCC2)C1.
What is the InChIKey of 1-azaspiro[4.4]nonan-3-ol;hydrochloride?
The InChIKey is POICLEUMZBMXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c10-7-5-8(9-6-7)3-1-2-4-8;/h7,9-10H,1-6H2;1H.
What are the key properties of 1-azaspiro[4.4]nonan-3-ol;hydrochloride?
1-azaspiro[4.4]nonan-3-ol;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[4.4]nonan-3-ol;hydrochloride is sourced from PubChem (CID 115015037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).