5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one

C13H16BrNO2 — CID 104751621

IUPAC5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(CC(=O)C2CCCC2)c1=O
InChIInChI=1S/C13H16BrNO2/c1-9-6-11(14)7-15(13(9)17)8-12(16)10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3
InChIKeyTTYPSLJWHYJRHN-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.68
Rot. Bonds3

About 5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one

5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one (PubChem CID 104751621) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one
PubChem CID104751621
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(CC(=O)C2CCCC2)c1=O
InChIInChI=1S/C13H16BrNO2/c1-9-6-11(14)7-15(13(9)17)8-12(16)10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3
InChIKeyTTYPSLJWHYJRHN-UHFFFAOYSA-N
XLogP2.68
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one?
The IUPAC name of 5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one (CID 104751621) is 5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one?
The canonical SMILES for 5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one is Cc1cc(Br)cn(CC(=O)C2CCCC2)c1=O.
What is the InChIKey of 5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one?
The InChIKey is TTYPSLJWHYJRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-9-6-11(14)7-15(13(9)17)8-12(16)10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one?
5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one has a molecular weight of 298.18 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one is sourced from PubChem (CID 104751621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).