1-benzyl-3-methoxy-6,6-dimethyl-2H-pyridin-5-one

C15H19NO2 — CID 164670695

IUPAC1-benzyl-3-methoxy-6,6-dimethyl-2H-pyridin-5-one
SMILESCOC1=CC(=O)C(C)(C)N(Cc2ccccc2)C1
InChIInChI=1S/C15H19NO2/c1-15(2)14(17)9-13(18-3)11-16(15)10-12-7-5-4-6-8-12/h4-9H,10-11H2,1-3H3
InChIKeyYIIOTIQHJMAPMP-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.38
Rot. Bonds3

About 1-benzyl-3-methoxy-6,6-dimethyl-2H-pyridin-5-one

1-benzyl-3-methoxy-6,6-dimethyl-2H-pyridin-5-one (PubChem CID 164670695) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-benzyl-3-methoxy-6,6-dimethyl-2H-pyridin-5-one.

Molecular Properties

Compound Name1-benzyl-3-methoxy-6,6-dimethyl-2H-pyridin-5-one
PubChem CID164670695
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-benzyl-3-methoxy-6,6-dimethyl-2H-pyridin-5-one
SMILESCOC1=CC(=O)C(C)(C)N(Cc2ccccc2)C1
InChIInChI=1S/C15H19NO2/c1-15(2)14(17)9-13(18-3)11-16(15)10-12-7-5-4-6-8-12/h4-9H,10-11H2,1-3H3
InChIKeyYIIOTIQHJMAPMP-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methoxy-6,6-dimethyl-2H-pyridin-5-one?
The IUPAC name of 1-benzyl-3-methoxy-6,6-dimethyl-2H-pyridin-5-one (CID 164670695) is 1-benzyl-3-methoxy-6,6-dimethyl-2H-pyridin-5-one.
What is the SMILES notation for 1-benzyl-3-methoxy-6,6-dimethyl-2H-pyridin-5-one?
The canonical SMILES for 1-benzyl-3-methoxy-6,6-dimethyl-2H-pyridin-5-one is COC1=CC(=O)C(C)(C)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-methoxy-6,6-dimethyl-2H-pyridin-5-one?
The InChIKey is YIIOTIQHJMAPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2)14(17)9-13(18-3)11-16(15)10-12-7-5-4-6-8-12/h4-9H,10-11H2,1-3H3.
What are the key properties of 1-benzyl-3-methoxy-6,6-dimethyl-2H-pyridin-5-one?
1-benzyl-3-methoxy-6,6-dimethyl-2H-pyridin-5-one has a molecular weight of 245.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methoxy-6,6-dimethyl-2H-pyridin-5-one is sourced from PubChem (CID 164670695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).