2-hydroxy-5-methyl-2,5-dihydro-1H-pyridin-6-one

C6H9NO2 — CID 130441956

IUPAC2-hydroxy-5-methyl-2,5-dihydro-1H-pyridin-6-one
SMILESCC1C=CC(O)NC1=O
InChIInChI=1S/C6H9NO2/c1-4-2-3-5(8)7-6(4)9/h2-5,8H,1H3,(H,7,9)
InChIKeyUQCJRPDQCUVSLJ-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.37
Rot. Bonds

About 2-hydroxy-5-methyl-2,5-dihydro-1H-pyridin-6-one

2-hydroxy-5-methyl-2,5-dihydro-1H-pyridin-6-one (PubChem CID 130441956) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-2,5-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name2-hydroxy-5-methyl-2,5-dihydro-1H-pyridin-6-one
PubChem CID130441956
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-hydroxy-5-methyl-2,5-dihydro-1H-pyridin-6-one
SMILESCC1C=CC(O)NC1=O
InChIInChI=1S/C6H9NO2/c1-4-2-3-5(8)7-6(4)9/h2-5,8H,1H3,(H,7,9)
InChIKeyUQCJRPDQCUVSLJ-UHFFFAOYSA-N
XLogP-0.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-2,5-dihydro-1H-pyridin-6-one?
The IUPAC name of 2-hydroxy-5-methyl-2,5-dihydro-1H-pyridin-6-one (CID 130441956) is 2-hydroxy-5-methyl-2,5-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 2-hydroxy-5-methyl-2,5-dihydro-1H-pyridin-6-one?
The canonical SMILES for 2-hydroxy-5-methyl-2,5-dihydro-1H-pyridin-6-one is CC1C=CC(O)NC1=O.
What is the InChIKey of 2-hydroxy-5-methyl-2,5-dihydro-1H-pyridin-6-one?
The InChIKey is UQCJRPDQCUVSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-2-3-5(8)7-6(4)9/h2-5,8H,1H3,(H,7,9).
What are the key properties of 2-hydroxy-5-methyl-2,5-dihydro-1H-pyridin-6-one?
2-hydroxy-5-methyl-2,5-dihydro-1H-pyridin-6-one has a molecular weight of 127.14 g/mol, XLogP of -0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-2,5-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 130441956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).