6-azoniaspiro[3.4]octan-2-ol

C7H14NO+ — CID 177329734

IUPAC6-azoniaspiro[3.4]octan-2-ol
SMILESOC1CC2(CC[NH2+]C2)C1
InChIInChI=1S/C7H13NO/c9-6-3-7(4-6)1-2-8-5-7/h6,8-9H,1-5H2/p+1
InChIKeyYAHQJPNTTVGVAC-UHFFFAOYSA-O
MW128.19 g/mol
LogP-0.91
Rot. Bonds

About 6-azoniaspiro[3.4]octan-2-ol

6-azoniaspiro[3.4]octan-2-ol (PubChem CID 177329734) has the molecular formula C7H14NO+ and a molecular weight of 128.19 g/mol. Its IUPAC name is 6-azoniaspiro[3.4]octan-2-ol.

Molecular Properties

Compound Name6-azoniaspiro[3.4]octan-2-ol
PubChem CID177329734
Molecular FormulaC7H14NO+
Molecular Weight128.19 g/mol
Exact Mass128.11
IUPAC Name6-azoniaspiro[3.4]octan-2-ol
SMILESOC1CC2(CC[NH2+]C2)C1
InChIInChI=1S/C7H13NO/c9-6-3-7(4-6)1-2-8-5-7/h6,8-9H,1-5H2/p+1
InChIKeyYAHQJPNTTVGVAC-UHFFFAOYSA-O
XLogP-0.91
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-azoniaspiro[3.4]octan-2-ol?
The IUPAC name of 6-azoniaspiro[3.4]octan-2-ol (CID 177329734) is 6-azoniaspiro[3.4]octan-2-ol.
What is the SMILES notation for 6-azoniaspiro[3.4]octan-2-ol?
The canonical SMILES for 6-azoniaspiro[3.4]octan-2-ol is OC1CC2(CC[NH2+]C2)C1.
What is the InChIKey of 6-azoniaspiro[3.4]octan-2-ol?
The InChIKey is YAHQJPNTTVGVAC-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO/c9-6-3-7(4-6)1-2-8-5-7/h6,8-9H,1-5H2/p+1.
What are the key properties of 6-azoniaspiro[3.4]octan-2-ol?
6-azoniaspiro[3.4]octan-2-ol has a molecular weight of 128.19 g/mol, XLogP of -0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azoniaspiro[3.4]octan-2-ol is sourced from PubChem (CID 177329734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).