6-benzyl-5-methoxy-3,3-dimethyl-1H-pyridine-2,4-dione

C15H17NO3 — CID 14615267

IUPAC6-benzyl-5-methoxy-3,3-dimethyl-1H-pyridine-2,4-dione
SMILESCOC1=C(Cc2ccccc2)NC(=O)C(C)(C)C1=O
InChIInChI=1S/C15H17NO3/c1-15(2)13(17)12(19-3)11(16-14(15)18)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,16,18)
InChIKeyWIIGLQGMNFQUIZ-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.81
Rot. Bonds3

About 6-benzyl-5-methoxy-3,3-dimethyl-1H-pyridine-2,4-dione

6-benzyl-5-methoxy-3,3-dimethyl-1H-pyridine-2,4-dione (PubChem CID 14615267) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 6-benzyl-5-methoxy-3,3-dimethyl-1H-pyridine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-5-methoxy-3,3-dimethyl-1H-pyridine-2,4-dione
PubChem CID14615267
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name6-benzyl-5-methoxy-3,3-dimethyl-1H-pyridine-2,4-dione
SMILESCOC1=C(Cc2ccccc2)NC(=O)C(C)(C)C1=O
InChIInChI=1S/C15H17NO3/c1-15(2)13(17)12(19-3)11(16-14(15)18)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,16,18)
InChIKeyWIIGLQGMNFQUIZ-UHFFFAOYSA-N
XLogP1.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzylbenzene;methoxymethane
CID 161110966
8-benzyl-9-hydroxy-7-azaspiro[4.5]dec-8-ene-6,10-dione
CID 14615266
benzylbenzene;ethane;methoxymethane
CID 159187560
4-benzyl-2-methoxy-1H-pyrimidin-6-one
CID 135483738
phenyl(113C)methylbenzene
CID 11194569
methyl 6-benzyl-4-(4-bromophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 5461443
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione
CID 163217166
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
(4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 6990662

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-methoxy-3,3-dimethyl-1H-pyridine-2,4-dione?
The IUPAC name of 6-benzyl-5-methoxy-3,3-dimethyl-1H-pyridine-2,4-dione (CID 14615267) is 6-benzyl-5-methoxy-3,3-dimethyl-1H-pyridine-2,4-dione.
What is the SMILES notation for 6-benzyl-5-methoxy-3,3-dimethyl-1H-pyridine-2,4-dione?
The canonical SMILES for 6-benzyl-5-methoxy-3,3-dimethyl-1H-pyridine-2,4-dione is COC1=C(Cc2ccccc2)NC(=O)C(C)(C)C1=O.
What is the InChIKey of 6-benzyl-5-methoxy-3,3-dimethyl-1H-pyridine-2,4-dione?
The InChIKey is WIIGLQGMNFQUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(2)13(17)12(19-3)11(16-14(15)18)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,16,18).
What are the key properties of 6-benzyl-5-methoxy-3,3-dimethyl-1H-pyridine-2,4-dione?
6-benzyl-5-methoxy-3,3-dimethyl-1H-pyridine-2,4-dione has a molecular weight of 259.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-methoxy-3,3-dimethyl-1H-pyridine-2,4-dione is sourced from PubChem (CID 14615267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).