3,5,5-trimethylpiperidine-2,4-dione

C8H13NO2 — CID 83815448

IUPAC3,5,5-trimethylpiperidine-2,4-dione
SMILESCC1C(=O)NCC(C)(C)C1=O
InChIInChI=1S/C8H13NO2/c1-5-6(10)8(2,3)4-9-7(5)11/h5H,4H2,1-3H3,(H,9,11)
InChIKeyOIXGILMISLHKFX-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.35
Rot. Bonds

About 3,5,5-trimethylpiperidine-2,4-dione

3,5,5-trimethylpiperidine-2,4-dione (PubChem CID 83815448) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3,5,5-trimethylpiperidine-2,4-dione.

Molecular Properties

Compound Name3,5,5-trimethylpiperidine-2,4-dione
PubChem CID83815448
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3,5,5-trimethylpiperidine-2,4-dione
SMILESCC1C(=O)NCC(C)(C)C1=O
InChIInChI=1S/C8H13NO2/c1-5-6(10)8(2,3)4-9-7(5)11/h5H,4H2,1-3H3,(H,9,11)
InChIKeyOIXGILMISLHKFX-UHFFFAOYSA-N
XLogP0.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3,5,5-trimethylpiperidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethylpiperidine-2,4-dione?
The IUPAC name of 3,5,5-trimethylpiperidine-2,4-dione (CID 83815448) is 3,5,5-trimethylpiperidine-2,4-dione.
What is the SMILES notation for 3,5,5-trimethylpiperidine-2,4-dione?
The canonical SMILES for 3,5,5-trimethylpiperidine-2,4-dione is CC1C(=O)NCC(C)(C)C1=O.
What is the InChIKey of 3,5,5-trimethylpiperidine-2,4-dione?
The InChIKey is OIXGILMISLHKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-6(10)8(2,3)4-9-7(5)11/h5H,4H2,1-3H3,(H,9,11).
What are the key properties of 3,5,5-trimethylpiperidine-2,4-dione?
3,5,5-trimethylpiperidine-2,4-dione has a molecular weight of 155.20 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethylpiperidine-2,4-dione is sourced from PubChem (CID 83815448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).