5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one

C12H14BrNO2 — CID 104751175

IUPAC5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)C1CCCC1
InChIInChI=1S/C12H14BrNO2/c13-10-5-6-12(16)14(7-10)8-11(15)9-3-1-2-4-9/h5-7,9H,1-4,8H2
InChIKeyHDOZAUOJKNQPPR-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.37
Rot. Bonds3

About 5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one

5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one (PubChem CID 104751175) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one
PubChem CID104751175
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)C1CCCC1
InChIInChI=1S/C12H14BrNO2/c13-10-5-6-12(16)14(7-10)8-11(15)9-3-1-2-4-9/h5-7,9H,1-4,8H2
InChIKeyHDOZAUOJKNQPPR-UHFFFAOYSA-N
XLogP2.37
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414346
5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one
CID 104751621
3-[(2S)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-2-yl]propanoic acid
CID 124699681
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111425720
methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylate
CID 78919229
(2S,3aR,7aR)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125147759
1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63030591
4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
CID 55637875
5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one
CID 62563342
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 8008576
1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one
CID 104751405
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-cyclopropylamino]propanoic acid
CID 119203160

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one (CID 104751175) is 5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one is O=C(Cn1cc(Br)ccc1=O)C1CCCC1.
What is the InChIKey of 5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one?
The InChIKey is HDOZAUOJKNQPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-10-5-6-12(16)14(7-10)8-11(15)9-3-1-2-4-9/h5-7,9H,1-4,8H2.
What are the key properties of 5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one?
5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one has a molecular weight of 284.15 g/mol, XLogP of 2.37, 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)pyridin-2-one is sourced from PubChem (CID 104751175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).