1-hydroxy-2-methyl-5,6,7,8-tetrahydroquinolin-1-ium

C10H14NO+ — CID 58485449

IUPAC1-hydroxy-2-methyl-5,6,7,8-tetrahydroquinolin-1-ium
SMILESCc1ccc2c([n+]1O)CCCC2
InChIInChI=1S/C10H14NO/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h6-7,12H,2-5H2,1H3/q+1
InChIKeyPZNNATIZVDZHBM-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.40
Rot. Bonds

About 1-hydroxy-2-methyl-5,6,7,8-tetrahydroquinolin-1-ium

1-hydroxy-2-methyl-5,6,7,8-tetrahydroquinolin-1-ium (PubChem CID 58485449) has the molecular formula C10H14NO+ and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-hydroxy-2-methyl-5,6,7,8-tetrahydroquinolin-1-ium.

Molecular Properties

Compound Name1-hydroxy-2-methyl-5,6,7,8-tetrahydroquinolin-1-ium
PubChem CID58485449
Molecular FormulaC10H14NO+
Molecular Weight164.23 g/mol
Exact Mass164.11
IUPAC Name1-hydroxy-2-methyl-5,6,7,8-tetrahydroquinolin-1-ium
SMILESCc1ccc2c([n+]1O)CCCC2
InChIInChI=1S/C10H14NO/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h6-7,12H,2-5H2,1H3/q+1
InChIKeyPZNNATIZVDZHBM-UHFFFAOYSA-N
XLogP1.40
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', '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-hydroxy-2-methyl-5,6,7,8-tetrahydroquinolin-1-ium?
The IUPAC name of 1-hydroxy-2-methyl-5,6,7,8-tetrahydroquinolin-1-ium (CID 58485449) is 1-hydroxy-2-methyl-5,6,7,8-tetrahydroquinolin-1-ium.
What is the SMILES notation for 1-hydroxy-2-methyl-5,6,7,8-tetrahydroquinolin-1-ium?
The canonical SMILES for 1-hydroxy-2-methyl-5,6,7,8-tetrahydroquinolin-1-ium is Cc1ccc2c([n+]1O)CCCC2.
What is the InChIKey of 1-hydroxy-2-methyl-5,6,7,8-tetrahydroquinolin-1-ium?
The InChIKey is PZNNATIZVDZHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h6-7,12H,2-5H2,1H3/q+1.
What are the key properties of 1-hydroxy-2-methyl-5,6,7,8-tetrahydroquinolin-1-ium?
1-hydroxy-2-methyl-5,6,7,8-tetrahydroquinolin-1-ium has a molecular weight of 164.23 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methyl-5,6,7,8-tetrahydroquinolin-1-ium is sourced from PubChem (CID 58485449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).