1-(2-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-ol

C10H20NO2+ — CID 69236041

IUPAC1-(2-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-ol
SMILESCC(O)C[N+]12CCC(CC1)C(O)C2
InChIInChI=1S/C10H20NO2/c1-8(12)6-11-4-2-9(3-5-11)10(13)7-11/h8-10,12-13H,2-7H2,1H3/q+1
InChIKeyMUISUCQOFSIONP-UHFFFAOYSA-N
MW186.27 g/mol
LogP-0.03
Rot. Bonds2

About 1-(2-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-ol

1-(2-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-ol (PubChem CID 69236041) has the molecular formula C10H20NO2+ and a molecular weight of 186.27 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-ol
PubChem CID69236041
Molecular FormulaC10H20NO2+
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name1-(2-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-ol
SMILESCC(O)C[N+]12CCC(CC1)C(O)C2
InChIInChI=1S/C10H20NO2/c1-8(12)6-11-4-2-9(3-5-11)10(13)7-11/h8-10,12-13H,2-7H2,1H3/q+1
InChIKeyMUISUCQOFSIONP-UHFFFAOYSA-N
XLogP-0.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 1-(2-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-ol (CID 69236041) is 1-(2-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 1-(2-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 1-(2-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-ol is CC(O)C[N+]12CCC(CC1)C(O)C2.
What is the InChIKey of 1-(2-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-ol?
The InChIKey is MUISUCQOFSIONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO2/c1-8(12)6-11-4-2-9(3-5-11)10(13)7-11/h8-10,12-13H,2-7H2,1H3/q+1.
What are the key properties of 1-(2-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-ol?
1-(2-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-ol has a molecular weight of 186.27 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 69236041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).