5-amino-1,2,3,4-tetrahydroquinolin-3-ol

C9H12N2O — CID 59216604

IUPAC5-amino-1,2,3,4-tetrahydroquinolin-3-ol
SMILESNc1cccc2c1CC(O)CN2
InChIInChI=1S/C9H12N2O/c10-8-2-1-3-9-7(8)4-6(12)5-11-9/h1-3,6,11-12H,4-5,10H2
InChIKeyXXPMAVIICUMXOM-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.60
Rot. Bonds

About 5-amino-1,2,3,4-tetrahydroquinolin-3-ol

5-amino-1,2,3,4-tetrahydroquinolin-3-ol (PubChem CID 59216604) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-amino-1,2,3,4-tetrahydroquinolin-3-ol.

Molecular Properties

Compound Name5-amino-1,2,3,4-tetrahydroquinolin-3-ol
PubChem CID59216604
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-amino-1,2,3,4-tetrahydroquinolin-3-ol
SMILESNc1cccc2c1CC(O)CN2
InChIInChI=1S/C9H12N2O/c10-8-2-1-3-9-7(8)4-6(12)5-11-9/h1-3,6,11-12H,4-5,10H2
InChIKeyXXPMAVIICUMXOM-UHFFFAOYSA-N
XLogP0.60
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,2,3,4-tetrahydroquinolin-3-ol?
The IUPAC name of 5-amino-1,2,3,4-tetrahydroquinolin-3-ol (CID 59216604) is 5-amino-1,2,3,4-tetrahydroquinolin-3-ol.
What is the SMILES notation for 5-amino-1,2,3,4-tetrahydroquinolin-3-ol?
The canonical SMILES for 5-amino-1,2,3,4-tetrahydroquinolin-3-ol is Nc1cccc2c1CC(O)CN2.
What is the InChIKey of 5-amino-1,2,3,4-tetrahydroquinolin-3-ol?
The InChIKey is XXPMAVIICUMXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-8-2-1-3-9-7(8)4-6(12)5-11-9/h1-3,6,11-12H,4-5,10H2.
What are the key properties of 5-amino-1,2,3,4-tetrahydroquinolin-3-ol?
5-amino-1,2,3,4-tetrahydroquinolin-3-ol has a molecular weight of 164.21 g/mol, XLogP of 0.60, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,2,3,4-tetrahydroquinolin-3-ol is sourced from PubChem (CID 59216604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).