2-hydroxy-3-methylisoquinolin-1-one

C10H9NO2 — CID 600218

IUPAC2-hydroxy-3-methylisoquinolin-1-one
SMILESCc1cc2ccccc2c(=O)n1O
InChIInChI=1S/C10H9NO2/c1-7-6-8-4-2-3-5-9(8)10(12)11(7)13/h2-6,13H,1H3
InChIKeyCOBPPLBKWFJMDG-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.55
Rot. Bonds

About 2-hydroxy-3-methylisoquinolin-1-one

2-hydroxy-3-methylisoquinolin-1-one (PubChem CID 600218) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-hydroxy-3-methylisoquinolin-1-one.

Molecular Properties

Compound Name2-hydroxy-3-methylisoquinolin-1-one
PubChem CID600218
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-hydroxy-3-methylisoquinolin-1-one
SMILESCc1cc2ccccc2c(=O)n1O
InChIInChI=1S/C10H9NO2/c1-7-6-8-4-2-3-5-9(8)10(12)11(7)13/h2-6,13H,1H3
InChIKeyCOBPPLBKWFJMDG-UHFFFAOYSA-N
XLogP1.55
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methylisoquinolin-1-one?
The IUPAC name of 2-hydroxy-3-methylisoquinolin-1-one (CID 600218) is 2-hydroxy-3-methylisoquinolin-1-one.
What is the SMILES notation for 2-hydroxy-3-methylisoquinolin-1-one?
The canonical SMILES for 2-hydroxy-3-methylisoquinolin-1-one is Cc1cc2ccccc2c(=O)n1O.
What is the InChIKey of 2-hydroxy-3-methylisoquinolin-1-one?
The InChIKey is COBPPLBKWFJMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-7-6-8-4-2-3-5-9(8)10(12)11(7)13/h2-6,13H,1H3.
What are the key properties of 2-hydroxy-3-methylisoquinolin-1-one?
2-hydroxy-3-methylisoquinolin-1-one has a molecular weight of 175.19 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methylisoquinolin-1-one is sourced from PubChem (CID 600218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).