1-oxa-7-azaspiro[4.4]nonan-3-ol;hydrochloride

C7H14ClNO2 — CID 90204446

IUPAC1-oxa-7-azaspiro[4.4]nonan-3-ol;hydrochloride
SMILESCl.OC1COC2(CCNC2)C1
InChIInChI=1S/C7H13NO2.ClH/c9-6-3-7(10-4-6)1-2-8-5-7;/h6,8-9H,1-5H2;1H
InChIKeyFDJDSCARELJWGK-UHFFFAOYSA-N
MW179.65 g/mol
LogP-0.08
Rot. Bonds

About 1-oxa-7-azaspiro[4.4]nonan-3-ol;hydrochloride

1-oxa-7-azaspiro[4.4]nonan-3-ol;hydrochloride (PubChem CID 90204446) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 1-oxa-7-azaspiro[4.4]nonan-3-ol;hydrochloride.

Molecular Properties

Compound Name1-oxa-7-azaspiro[4.4]nonan-3-ol;hydrochloride
PubChem CID90204446
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name1-oxa-7-azaspiro[4.4]nonan-3-ol;hydrochloride
SMILESCl.OC1COC2(CCNC2)C1
InChIInChI=1S/C7H13NO2.ClH/c9-6-3-7(10-4-6)1-2-8-5-7;/h6,8-9H,1-5H2;1H
InChIKeyFDJDSCARELJWGK-UHFFFAOYSA-N
XLogP-0.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-7-azaspiro[4.4]nonan-3-ol;hydrochloride?
The IUPAC name of 1-oxa-7-azaspiro[4.4]nonan-3-ol;hydrochloride (CID 90204446) is 1-oxa-7-azaspiro[4.4]nonan-3-ol;hydrochloride.
What is the SMILES notation for 1-oxa-7-azaspiro[4.4]nonan-3-ol;hydrochloride?
The canonical SMILES for 1-oxa-7-azaspiro[4.4]nonan-3-ol;hydrochloride is Cl.OC1COC2(CCNC2)C1.
What is the InChIKey of 1-oxa-7-azaspiro[4.4]nonan-3-ol;hydrochloride?
The InChIKey is FDJDSCARELJWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c9-6-3-7(10-4-6)1-2-8-5-7;/h6,8-9H,1-5H2;1H.
What are the key properties of 1-oxa-7-azaspiro[4.4]nonan-3-ol;hydrochloride?
1-oxa-7-azaspiro[4.4]nonan-3-ol;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-7-azaspiro[4.4]nonan-3-ol;hydrochloride is sourced from PubChem (CID 90204446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).