1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one

C16H19NO — CID 130348251

IUPAC1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one
SMILESCCC(C)c1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C16H19NO/c1-3-13(2)15-9-7-14(8-10-15)12-17-11-5-4-6-16(17)18/h4-11,13H,3,12H2,1-2H3
InChIKeyANUPUUAFYFXBSI-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.41
Rot. Bonds4

About 1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one

1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one (PubChem CID 130348251) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one
PubChem CID130348251
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one
SMILESCCC(C)c1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C16H19NO/c1-3-13(2)15-9-7-14(8-10-15)12-17-11-5-4-6-16(17)18/h4-11,13H,3,12H2,1-2H3
InChIKeyANUPUUAFYFXBSI-UHFFFAOYSA-N
XLogP3.41
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one?
The IUPAC name of 1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one (CID 130348251) is 1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one is CCC(C)c1ccc(Cn2ccccc2=O)cc1.
What is the InChIKey of 1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one?
The InChIKey is ANUPUUAFYFXBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-13(2)15-9-7-14(8-10-15)12-17-11-5-4-6-16(17)18/h4-11,13H,3,12H2,1-2H3.
What are the key properties of 1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one?
1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one has a molecular weight of 241.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 130348251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).