4-ethylpiperidine-2,6-dione

C7H11NO2 — CID 3060768

IUPAC4-ethylpiperidine-2,6-dione
SMILESCCC1CC(=O)NC(=O)C1
InChIInChI=1S/C7H11NO2/c1-2-5-3-6(9)8-7(10)4-5/h5H,2-4H2,1H3,(H,8,9,10)
InChIKeyJOXZQJXTAKJQTF-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.45
Rot. Bonds1

About 4-ethylpiperidine-2,6-dione

4-ethylpiperidine-2,6-dione (PubChem CID 3060768) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-ethylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-ethylpiperidine-2,6-dione
PubChem CID3060768
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-ethylpiperidine-2,6-dione
SMILESCCC1CC(=O)NC(=O)C1
InChIInChI=1S/C7H11NO2/c1-2-5-3-6(9)8-7(10)4-5/h5H,2-4H2,1H3,(H,8,9,10)
InChIKeyJOXZQJXTAKJQTF-UHFFFAOYSA-N
XLogP0.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylpiperidine-2,6-dione?
The IUPAC name of 4-ethylpiperidine-2,6-dione (CID 3060768) is 4-ethylpiperidine-2,6-dione.
What is the SMILES notation for 4-ethylpiperidine-2,6-dione?
The canonical SMILES for 4-ethylpiperidine-2,6-dione is CCC1CC(=O)NC(=O)C1.
What is the InChIKey of 4-ethylpiperidine-2,6-dione?
The InChIKey is JOXZQJXTAKJQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-5-3-6(9)8-7(10)4-5/h5H,2-4H2,1H3,(H,8,9,10).
What are the key properties of 4-ethylpiperidine-2,6-dione?
4-ethylpiperidine-2,6-dione has a molecular weight of 141.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpiperidine-2,6-dione is sourced from PubChem (CID 3060768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).