1-ethyl-4-methyl-4H-pyridine-2,3-dione

C8H11NO2 — CID 10176223

IUPAC1-ethyl-4-methyl-4H-pyridine-2,3-dione
SMILESCCN1C=CC(C)C(=O)C1=O
InChIInChI=1S/C8H11NO2/c1-3-9-5-4-6(2)7(10)8(9)11/h4-6H,3H2,1-2H3
InChIKeyLJZBQWYQBKLHED-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.57
Rot. Bonds1

About 1-ethyl-4-methyl-4H-pyridine-2,3-dione

1-ethyl-4-methyl-4H-pyridine-2,3-dione (PubChem CID 10176223) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-ethyl-4-methyl-4H-pyridine-2,3-dione.

Molecular Properties

Compound Name1-ethyl-4-methyl-4H-pyridine-2,3-dione
PubChem CID10176223
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-ethyl-4-methyl-4H-pyridine-2,3-dione
SMILESCCN1C=CC(C)C(=O)C1=O
InChIInChI=1S/C8H11NO2/c1-3-9-5-4-6(2)7(10)8(9)11/h4-6H,3H2,1-2H3
InChIKeyLJZBQWYQBKLHED-UHFFFAOYSA-N
XLogP0.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-4H-pyridine-2,3-dione?
The IUPAC name of 1-ethyl-4-methyl-4H-pyridine-2,3-dione (CID 10176223) is 1-ethyl-4-methyl-4H-pyridine-2,3-dione.
What is the SMILES notation for 1-ethyl-4-methyl-4H-pyridine-2,3-dione?
The canonical SMILES for 1-ethyl-4-methyl-4H-pyridine-2,3-dione is CCN1C=CC(C)C(=O)C1=O.
What is the InChIKey of 1-ethyl-4-methyl-4H-pyridine-2,3-dione?
The InChIKey is LJZBQWYQBKLHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-9-5-4-6(2)7(10)8(9)11/h4-6H,3H2,1-2H3.
What are the key properties of 1-ethyl-4-methyl-4H-pyridine-2,3-dione?
1-ethyl-4-methyl-4H-pyridine-2,3-dione has a molecular weight of 153.18 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-4H-pyridine-2,3-dione is sourced from PubChem (CID 10176223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).