1,6,6-trimethylpiperidine-2,4-dione

C8H13NO2 — CID 14800180

IUPAC1,6,6-trimethylpiperidine-2,4-dione
SMILESCN1C(=O)CC(=O)CC1(C)C
InChIInChI=1S/C8H13NO2/c1-8(2)5-6(10)4-7(11)9(8)3/h4-5H2,1-3H3
InChIKeySDMWAKBBONKNID-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.59
Rot. Bonds

About 1,6,6-trimethylpiperidine-2,4-dione

1,6,6-trimethylpiperidine-2,4-dione (PubChem CID 14800180) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1,6,6-trimethylpiperidine-2,4-dione.

Molecular Properties

Compound Name1,6,6-trimethylpiperidine-2,4-dione
PubChem CID14800180
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1,6,6-trimethylpiperidine-2,4-dione
SMILESCN1C(=O)CC(=O)CC1(C)C
InChIInChI=1S/C8H13NO2/c1-8(2)5-6(10)4-7(11)9(8)3/h4-5H2,1-3H3
InChIKeySDMWAKBBONKNID-UHFFFAOYSA-N
XLogP0.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethylpiperidine-2,4-dione?
The IUPAC name of 1,6,6-trimethylpiperidine-2,4-dione (CID 14800180) is 1,6,6-trimethylpiperidine-2,4-dione.
What is the SMILES notation for 1,6,6-trimethylpiperidine-2,4-dione?
The canonical SMILES for 1,6,6-trimethylpiperidine-2,4-dione is CN1C(=O)CC(=O)CC1(C)C.
What is the InChIKey of 1,6,6-trimethylpiperidine-2,4-dione?
The InChIKey is SDMWAKBBONKNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2)5-6(10)4-7(11)9(8)3/h4-5H2,1-3H3.
What are the key properties of 1,6,6-trimethylpiperidine-2,4-dione?
1,6,6-trimethylpiperidine-2,4-dione has a molecular weight of 155.20 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethylpiperidine-2,4-dione is sourced from PubChem (CID 14800180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).