6-hydroxy-3,4-dihydro-1H-quinolin-2-one

C9H9NO2 — CID 2774040

IUPAC6-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(O)ccc2N1
InChIInChI=1S/C9H9NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h2-3,5,11H,1,4H2,(H,10,12)
InChIKeyHOSGXJWQVBHGLT-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.28
Rot. Bonds

About 6-hydroxy-3,4-dihydro-1H-quinolin-2-one

6-hydroxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2774040) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 6-hydroxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-hydroxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID2774040
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name6-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(O)ccc2N1
InChIInChI=1S/C9H9NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h2-3,5,11H,1,4H2,(H,10,12)
InChIKeyHOSGXJWQVBHGLT-UHFFFAOYSA-N
XLogP1.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-hydroxy-3,4-dihydro-1H-quinolin-2-one (CID 2774040) is 6-hydroxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-hydroxy-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(O)ccc2N1.
What is the InChIKey of 6-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HOSGXJWQVBHGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h2-3,5,11H,1,4H2,(H,10,12).
What are the key properties of 6-hydroxy-3,4-dihydro-1H-quinolin-2-one?
6-hydroxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 163.18 g/mol, XLogP of 1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2774040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).