4-azoniaspiro[3.3]heptane-2,6-diol

C6H12NO2+ — CID 101407381

IUPAC4-azoniaspiro[3.3]heptane-2,6-diol
SMILESOC1C[N+]2(C1)CC(O)C2
InChIInChI=1S/C6H12NO2/c8-5-1-7(2-5)3-6(9)4-7/h5-6,8-9H,1-4H2/q+1
InChIKeyHDKZWRBPFIPXIE-UHFFFAOYSA-N
MW130.17 g/mol
LogP-1.45
Rot. Bonds

About 4-azoniaspiro[3.3]heptane-2,6-diol

4-azoniaspiro[3.3]heptane-2,6-diol (PubChem CID 101407381) has the molecular formula C6H12NO2+ and a molecular weight of 130.17 g/mol. Its IUPAC name is 4-azoniaspiro[3.3]heptane-2,6-diol.

Molecular Properties

Compound Name4-azoniaspiro[3.3]heptane-2,6-diol
PubChem CID101407381
Molecular FormulaC6H12NO2+
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name4-azoniaspiro[3.3]heptane-2,6-diol
SMILESOC1C[N+]2(C1)CC(O)C2
InChIInChI=1S/C6H12NO2/c8-5-1-7(2-5)3-6(9)4-7/h5-6,8-9H,1-4H2/q+1
InChIKeyHDKZWRBPFIPXIE-UHFFFAOYSA-N
XLogP-1.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-azoniaspiro[3.5]nonan-2-ol chloride
CID 658522
5-azoniaspiro[4.4]nonan-3-ol hydroxide
CID 175828407
5-azoniaspiro[4.5]decan-3-ol
CID 152942581
cyclobutane-1,3-diol
CID 175518786
7-heptan-3-yl-7-aza-4-azoniaspiro[3.5]nonan-2-ol
CID 142005790
potassium cyclopropanol
CID 18764435
7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol
CID 118283225
cyclohexane-1,4-diol
CID 11162
carbanide;7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol
CID 161103258
(3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide
CID 146627833
cyclohexane-1,4-diol;hydrochloride
CID 141062883
cyclobutanol;cyclopropanol
CID 175019048

Frequently Asked Questions

What is the IUPAC name of 4-azoniaspiro[3.3]heptane-2,6-diol?
The IUPAC name of 4-azoniaspiro[3.3]heptane-2,6-diol (CID 101407381) is 4-azoniaspiro[3.3]heptane-2,6-diol.
What is the SMILES notation for 4-azoniaspiro[3.3]heptane-2,6-diol?
The canonical SMILES for 4-azoniaspiro[3.3]heptane-2,6-diol is OC1C[N+]2(C1)CC(O)C2.
What is the InChIKey of 4-azoniaspiro[3.3]heptane-2,6-diol?
The InChIKey is HDKZWRBPFIPXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO2/c8-5-1-7(2-5)3-6(9)4-7/h5-6,8-9H,1-4H2/q+1.
What are the key properties of 4-azoniaspiro[3.3]heptane-2,6-diol?
4-azoniaspiro[3.3]heptane-2,6-diol has a molecular weight of 130.17 g/mol, XLogP of -1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azoniaspiro[3.3]heptane-2,6-diol is sourced from PubChem (CID 101407381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).