1,3,3,4,5-pentamethylpyridine-2,6-dione

C10H15NO2 — CID 20695481

IUPAC1,3,3,4,5-pentamethylpyridine-2,6-dione
SMILESCC1=C(C)C(C)(C)C(=O)N(C)C1=O
InChIInChI=1S/C10H15NO2/c1-6-7(2)10(3,4)9(13)11(5)8(6)12/h1-5H3
InChIKeyVKVLQHSRWOEZOR-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.35
Rot. Bonds

About 1,3,3,4,5-pentamethylpyridine-2,6-dione

1,3,3,4,5-pentamethylpyridine-2,6-dione (PubChem CID 20695481) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1,3,3,4,5-pentamethylpyridine-2,6-dione.

Molecular Properties

Compound Name1,3,3,4,5-pentamethylpyridine-2,6-dione
PubChem CID20695481
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1,3,3,4,5-pentamethylpyridine-2,6-dione
SMILESCC1=C(C)C(C)(C)C(=O)N(C)C1=O
InChIInChI=1S/C10H15NO2/c1-6-7(2)10(3,4)9(13)11(5)8(6)12/h1-5H3
InChIKeyVKVLQHSRWOEZOR-UHFFFAOYSA-N
XLogP1.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
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 1,3,3,4,5-pentamethylpyridine-2,6-dione?
The IUPAC name of 1,3,3,4,5-pentamethylpyridine-2,6-dione (CID 20695481) is 1,3,3,4,5-pentamethylpyridine-2,6-dione.
What is the SMILES notation for 1,3,3,4,5-pentamethylpyridine-2,6-dione?
The canonical SMILES for 1,3,3,4,5-pentamethylpyridine-2,6-dione is CC1=C(C)C(C)(C)C(=O)N(C)C1=O.
What is the InChIKey of 1,3,3,4,5-pentamethylpyridine-2,6-dione?
The InChIKey is VKVLQHSRWOEZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6-7(2)10(3,4)9(13)11(5)8(6)12/h1-5H3.
What are the key properties of 1,3,3,4,5-pentamethylpyridine-2,6-dione?
1,3,3,4,5-pentamethylpyridine-2,6-dione has a molecular weight of 181.23 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,5-pentamethylpyridine-2,6-dione is sourced from PubChem (CID 20695481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).