1-(1-oxidopyridin-1-ium-2-yl)cyclohexan-1-ol

C11H15NO2 — CID 102392034

IUPAC1-(1-oxidopyridin-1-ium-2-yl)cyclohexan-1-ol
SMILES[O-][n+]1ccccc1C1(O)CCCCC1
InChIInChI=1S/C11H15NO2/c13-11(7-3-1-4-8-11)10-6-2-5-9-12(10)14/h2,5-6,9,13H,1,3-4,7-8H2
InChIKeyXRMUXMZENFBMPK-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.47
Rot. Bonds1

About 1-(1-oxidopyridin-1-ium-2-yl)cyclohexan-1-ol

1-(1-oxidopyridin-1-ium-2-yl)cyclohexan-1-ol (PubChem CID 102392034) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(1-oxidopyridin-1-ium-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-oxidopyridin-1-ium-2-yl)cyclohexan-1-ol
PubChem CID102392034
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(1-oxidopyridin-1-ium-2-yl)cyclohexan-1-ol
SMILES[O-][n+]1ccccc1C1(O)CCCCC1
InChIInChI=1S/C11H15NO2/c13-11(7-3-1-4-8-11)10-6-2-5-9-12(10)14/h2,5-6,9,13H,1,3-4,7-8H2
InChIKeyXRMUXMZENFBMPK-UHFFFAOYSA-N
XLogP1.47
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxidopyridin-1-ium-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(1-oxidopyridin-1-ium-2-yl)cyclohexan-1-ol (CID 102392034) is 1-(1-oxidopyridin-1-ium-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-oxidopyridin-1-ium-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-oxidopyridin-1-ium-2-yl)cyclohexan-1-ol is [O-][n+]1ccccc1C1(O)CCCCC1.
What is the InChIKey of 1-(1-oxidopyridin-1-ium-2-yl)cyclohexan-1-ol?
The InChIKey is XRMUXMZENFBMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-11(7-3-1-4-8-11)10-6-2-5-9-12(10)14/h2,5-6,9,13H,1,3-4,7-8H2.
What are the key properties of 1-(1-oxidopyridin-1-ium-2-yl)cyclohexan-1-ol?
1-(1-oxidopyridin-1-ium-2-yl)cyclohexan-1-ol has a molecular weight of 193.25 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxidopyridin-1-ium-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 102392034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).