4-tert-butyl-1-hydroxy-3H-pyridine-2,6-dione

C9H13NO3 — CID 59383901

IUPAC4-tert-butyl-1-hydroxy-3H-pyridine-2,6-dione
SMILESCC(C)(C)C1=CC(=O)N(O)C(=O)C1
InChIInChI=1S/C9H13NO3/c1-9(2,3)6-4-7(11)10(13)8(12)5-6/h4,13H,5H2,1-3H3
InChIKeyKDRGYRFKLJDUQZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.11
Rot. Bonds

About 4-tert-butyl-1-hydroxy-3H-pyridine-2,6-dione

4-tert-butyl-1-hydroxy-3H-pyridine-2,6-dione (PubChem CID 59383901) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-tert-butyl-1-hydroxy-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name4-tert-butyl-1-hydroxy-3H-pyridine-2,6-dione
PubChem CID59383901
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name4-tert-butyl-1-hydroxy-3H-pyridine-2,6-dione
SMILESCC(C)(C)C1=CC(=O)N(O)C(=O)C1
InChIInChI=1S/C9H13NO3/c1-9(2,3)6-4-7(11)10(13)8(12)5-6/h4,13H,5H2,1-3H3
InChIKeyKDRGYRFKLJDUQZ-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-hydroxy-3H-pyridine-2,6-dione?
The IUPAC name of 4-tert-butyl-1-hydroxy-3H-pyridine-2,6-dione (CID 59383901) is 4-tert-butyl-1-hydroxy-3H-pyridine-2,6-dione.
What is the SMILES notation for 4-tert-butyl-1-hydroxy-3H-pyridine-2,6-dione?
The canonical SMILES for 4-tert-butyl-1-hydroxy-3H-pyridine-2,6-dione is CC(C)(C)C1=CC(=O)N(O)C(=O)C1.
What is the InChIKey of 4-tert-butyl-1-hydroxy-3H-pyridine-2,6-dione?
The InChIKey is KDRGYRFKLJDUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-9(2,3)6-4-7(11)10(13)8(12)5-6/h4,13H,5H2,1-3H3.
What are the key properties of 4-tert-butyl-1-hydroxy-3H-pyridine-2,6-dione?
4-tert-butyl-1-hydroxy-3H-pyridine-2,6-dione has a molecular weight of 183.21 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-hydroxy-3H-pyridine-2,6-dione is sourced from PubChem (CID 59383901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).