5-methyl-1-[4-(2-methylbutan-2-yl)phenyl]pyridin-2-one

C17H21NO — CID 164564971

IUPAC5-methyl-1-[4-(2-methylbutan-2-yl)phenyl]pyridin-2-one
SMILESCCC(C)(C)c1ccc(-n2cc(C)ccc2=O)cc1
InChIInChI=1S/C17H21NO/c1-5-17(3,4)14-7-9-15(10-8-14)18-12-13(2)6-11-16(18)19/h6-12H,5H2,1-4H3
InChIKeySDFQEVRCPTZINS-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.83
Rot. Bonds3

About 5-methyl-1-[4-(2-methylbutan-2-yl)phenyl]pyridin-2-one

5-methyl-1-[4-(2-methylbutan-2-yl)phenyl]pyridin-2-one (PubChem CID 164564971) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-methyl-1-[4-(2-methylbutan-2-yl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name5-methyl-1-[4-(2-methylbutan-2-yl)phenyl]pyridin-2-one
PubChem CID164564971
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name5-methyl-1-[4-(2-methylbutan-2-yl)phenyl]pyridin-2-one
SMILESCCC(C)(C)c1ccc(-n2cc(C)ccc2=O)cc1
InChIInChI=1S/C17H21NO/c1-5-17(3,4)14-7-9-15(10-8-14)18-12-13(2)6-11-16(18)19/h6-12H,5H2,1-4H3
InChIKeySDFQEVRCPTZINS-UHFFFAOYSA-N
XLogP3.83
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-(2-methylbutan-2-yl)phenyl]pyridin-2-one?
The IUPAC name of 5-methyl-1-[4-(2-methylbutan-2-yl)phenyl]pyridin-2-one (CID 164564971) is 5-methyl-1-[4-(2-methylbutan-2-yl)phenyl]pyridin-2-one.
What is the SMILES notation for 5-methyl-1-[4-(2-methylbutan-2-yl)phenyl]pyridin-2-one?
The canonical SMILES for 5-methyl-1-[4-(2-methylbutan-2-yl)phenyl]pyridin-2-one is CCC(C)(C)c1ccc(-n2cc(C)ccc2=O)cc1.
What is the InChIKey of 5-methyl-1-[4-(2-methylbutan-2-yl)phenyl]pyridin-2-one?
The InChIKey is SDFQEVRCPTZINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-5-17(3,4)14-7-9-15(10-8-14)18-12-13(2)6-11-16(18)19/h6-12H,5H2,1-4H3.
What are the key properties of 5-methyl-1-[4-(2-methylbutan-2-yl)phenyl]pyridin-2-one?
5-methyl-1-[4-(2-methylbutan-2-yl)phenyl]pyridin-2-one has a molecular weight of 255.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-(2-methylbutan-2-yl)phenyl]pyridin-2-one is sourced from PubChem (CID 164564971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).