1-(6-pentanoyl-2-pyridinyl)pentan-1-one

C15H21NO2 — CID 169018185

IUPAC1-(6-pentanoyl-2-pyridinyl)pentan-1-one
SMILESCCCCC(=O)c1cccc(C(=O)CCCC)n1
InChIInChI=1S/C15H21NO2/c1-3-5-10-14(17)12-8-7-9-13(16-12)15(18)11-6-4-2/h7-9H,3-6,10-11H2,1-2H3
InChIKeyNBCTZWUPIXFHNN-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.83
Rot. Bonds8

About 1-(6-pentanoyl-2-pyridinyl)pentan-1-one

1-(6-pentanoyl-2-pyridinyl)pentan-1-one (PubChem CID 169018185) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(6-pentanoyl-2-pyridinyl)pentan-1-one.

Molecular Properties

Compound Name1-(6-pentanoyl-2-pyridinyl)pentan-1-one
PubChem CID169018185
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(6-pentanoyl-2-pyridinyl)pentan-1-one
SMILESCCCCC(=O)c1cccc(C(=O)CCCC)n1
InChIInChI=1S/C15H21NO2/c1-3-5-10-14(17)12-8-7-9-13(16-12)15(18)11-6-4-2/h7-9H,3-6,10-11H2,1-2H3
InChIKeyNBCTZWUPIXFHNN-UHFFFAOYSA-N
XLogP3.83
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-2-ylhexan-1-one
CID 556347
1-[6-[(1Z,3Z)-1,4-diamino-4-[6-[6-(6-heptanoyl-2-pyridinyl)pyridazin-3-yl]-2-pyridinyl]buta-1,3-dienyl]-2-pyridinyl]heptan-1-one
CID 143616874
4-ethoxy-1-(6-methyl-2-pyridinyl)butan-1-one
CID 121013346
1-(2,6-dichlorophenyl)pentan-1-one
CID 83950203
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
CID 4094249
1-quinoxalin-2-ylhexan-1-one
CID 102319889
ethane;1-phenylpentan-1-one
CID 143728184
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate
CID 91725154
1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one
CID 123520554
2-O-butyl 6-O-dodecyl pyridine-2,6-dicarboxylate
CID 91735947
2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide
CID 139129379

Frequently Asked Questions

What is the IUPAC name of 1-(6-pentanoyl-2-pyridinyl)pentan-1-one?
The IUPAC name of 1-(6-pentanoyl-2-pyridinyl)pentan-1-one (CID 169018185) is 1-(6-pentanoyl-2-pyridinyl)pentan-1-one.
What is the SMILES notation for 1-(6-pentanoyl-2-pyridinyl)pentan-1-one?
The canonical SMILES for 1-(6-pentanoyl-2-pyridinyl)pentan-1-one is CCCCC(=O)c1cccc(C(=O)CCCC)n1.
What is the InChIKey of 1-(6-pentanoyl-2-pyridinyl)pentan-1-one?
The InChIKey is NBCTZWUPIXFHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-5-10-14(17)12-8-7-9-13(16-12)15(18)11-6-4-2/h7-9H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(6-pentanoyl-2-pyridinyl)pentan-1-one?
1-(6-pentanoyl-2-pyridinyl)pentan-1-one has a molecular weight of 247.34 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pentanoyl-2-pyridinyl)pentan-1-one is sourced from PubChem (CID 169018185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).