1,6,6-trimethylpyridine-2,5-dione

C8H11NO2 — CID 89065763

IUPAC1,6,6-trimethylpyridine-2,5-dione
SMILESCN1C(=O)C=CC(=O)C1(C)C
InChIInChI=1S/C8H11NO2/c1-8(2)6(10)4-5-7(11)9(8)3/h4-5H,1-3H3
InChIKeyDXGDOCKONHWVHI-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.36
Rot. Bonds

About 1,6,6-trimethylpyridine-2,5-dione

1,6,6-trimethylpyridine-2,5-dione (PubChem CID 89065763) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1,6,6-trimethylpyridine-2,5-dione.

Molecular Properties

Compound Name1,6,6-trimethylpyridine-2,5-dione
PubChem CID89065763
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1,6,6-trimethylpyridine-2,5-dione
SMILESCN1C(=O)C=CC(=O)C1(C)C
InChIInChI=1S/C8H11NO2/c1-8(2)6(10)4-5-7(11)9(8)3/h4-5H,1-3H3
InChIKeyDXGDOCKONHWVHI-UHFFFAOYSA-N
XLogP0.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethylpyridine-2,5-dione?
The IUPAC name of 1,6,6-trimethylpyridine-2,5-dione (CID 89065763) is 1,6,6-trimethylpyridine-2,5-dione.
What is the SMILES notation for 1,6,6-trimethylpyridine-2,5-dione?
The canonical SMILES for 1,6,6-trimethylpyridine-2,5-dione is CN1C(=O)C=CC(=O)C1(C)C.
What is the InChIKey of 1,6,6-trimethylpyridine-2,5-dione?
The InChIKey is DXGDOCKONHWVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-8(2)6(10)4-5-7(11)9(8)3/h4-5H,1-3H3.
What are the key properties of 1,6,6-trimethylpyridine-2,5-dione?
1,6,6-trimethylpyridine-2,5-dione has a molecular weight of 153.18 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethylpyridine-2,5-dione is sourced from PubChem (CID 89065763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).