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

C9H9NO2 — CID 14183694

IUPAC2-hydroxy-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1O
InChIInChI=1S/C9H9NO2/c11-9-8-4-2-1-3-7(8)5-6-10(9)12/h1-4,12H,5-6H2
InChIKeyMFBKBTMVISFSOJ-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.07
Rot. Bonds

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

2-hydroxy-3,4-dihydroisoquinolin-1-one (PubChem CID 14183694) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-hydroxy-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-hydroxy-3,4-dihydroisoquinolin-1-one
PubChem CID14183694
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2-hydroxy-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1O
InChIInChI=1S/C9H9NO2/c11-9-8-4-2-1-3-7(8)5-6-10(9)12/h1-4,12H,5-6H2
InChIKeyMFBKBTMVISFSOJ-UHFFFAOYSA-N
XLogP1.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-hydroxy-3,4-dihydroisoquinolin-1-one (CID 14183694) is 2-hydroxy-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-hydroxy-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-hydroxy-3,4-dihydroisoquinolin-1-one is O=C1c2ccccc2CCN1O.
What is the InChIKey of 2-hydroxy-3,4-dihydroisoquinolin-1-one?
The InChIKey is MFBKBTMVISFSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-9-8-4-2-1-3-7(8)5-6-10(9)12/h1-4,12H,5-6H2.
What are the key properties of 2-hydroxy-3,4-dihydroisoquinolin-1-one?
2-hydroxy-3,4-dihydroisoquinolin-1-one has a molecular weight of 163.18 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 14183694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).