2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one

C11H13NO2 — CID 71778155

IUPAC2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one
SMILESCCN1CCc2c(O)cccc2C1=O
InChIInChI=1S/C11H13NO2/c1-2-12-7-6-8-9(11(12)14)4-3-5-10(8)13/h3-5,13H,2,6-7H2,1H3
InChIKeyGUICCWCXBHCFLV-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.41
Rot. Bonds1

About 2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one

2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one (PubChem CID 71778155) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one
PubChem CID71778155
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one
SMILESCCN1CCc2c(O)cccc2C1=O
InChIInChI=1S/C11H13NO2/c1-2-12-7-6-8-9(11(12)14)4-3-5-10(8)13/h3-5,13H,2,6-7H2,1H3
InChIKeyGUICCWCXBHCFLV-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one (CID 71778155) is 2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one is CCN1CCc2c(O)cccc2C1=O.
What is the InChIKey of 2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one?
The InChIKey is GUICCWCXBHCFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-12-7-6-8-9(11(12)14)4-3-5-10(8)13/h3-5,13H,2,6-7H2,1H3.
What are the key properties of 2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one?
2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one has a molecular weight of 191.23 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 71778155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).