6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one

C11H13NO3 — CID 115025100

IUPAC6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(O)cc2CCN1CCO
InChIInChI=1S/C11H13NO3/c13-6-5-12-4-3-8-7-9(14)1-2-10(8)11(12)15/h1-2,7,13-14H,3-6H2
InChIKeyRNYFVJGLWIMUMV-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.38
Rot. Bonds2

About 6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one

6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one (PubChem CID 115025100) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one
PubChem CID115025100
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(O)cc2CCN1CCO
InChIInChI=1S/C11H13NO3/c13-6-5-12-4-3-8-7-9(14)1-2-10(8)11(12)15/h1-2,7,13-14H,3-6H2
InChIKeyRNYFVJGLWIMUMV-UHFFFAOYSA-N
XLogP0.38
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one (CID 115025100) is 6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one is O=C1c2ccc(O)cc2CCN1CCO.
What is the InChIKey of 6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is RNYFVJGLWIMUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-6-5-12-4-3-8-7-9(14)1-2-10(8)11(12)15/h1-2,7,13-14H,3-6H2.
What are the key properties of 6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one?
6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 207.23 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 115025100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).