1-(4-propyl-2-pyridinyl)pentan-2-one

C13H19NO — CID 123890630

IUPAC1-(4-propyl-2-pyridinyl)pentan-2-one
SMILESCCCC(=O)Cc1cc(CCC)ccn1
InChIInChI=1S/C13H19NO/c1-3-5-11-7-8-14-12(9-11)10-13(15)6-4-2/h7-9H,3-6,10H2,1-2H3
InChIKeyADLYZLFJLOFUNH-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.95
Rot. Bonds6

About 1-(4-propyl-2-pyridinyl)pentan-2-one

1-(4-propyl-2-pyridinyl)pentan-2-one (PubChem CID 123890630) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(4-propyl-2-pyridinyl)pentan-2-one.

Molecular Properties

Compound Name1-(4-propyl-2-pyridinyl)pentan-2-one
PubChem CID123890630
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(4-propyl-2-pyridinyl)pentan-2-one
SMILESCCCC(=O)Cc1cc(CCC)ccn1
InChIInChI=1S/C13H19NO/c1-3-5-11-7-8-14-12(9-11)10-13(15)6-4-2/h7-9H,3-6,10H2,1-2H3
InChIKeyADLYZLFJLOFUNH-UHFFFAOYSA-N
XLogP2.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propyl-2-pyridinyl)pentan-2-one?
The IUPAC name of 1-(4-propyl-2-pyridinyl)pentan-2-one (CID 123890630) is 1-(4-propyl-2-pyridinyl)pentan-2-one.
What is the SMILES notation for 1-(4-propyl-2-pyridinyl)pentan-2-one?
The canonical SMILES for 1-(4-propyl-2-pyridinyl)pentan-2-one is CCCC(=O)Cc1cc(CCC)ccn1.
What is the InChIKey of 1-(4-propyl-2-pyridinyl)pentan-2-one?
The InChIKey is ADLYZLFJLOFUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-5-11-7-8-14-12(9-11)10-13(15)6-4-2/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 1-(4-propyl-2-pyridinyl)pentan-2-one?
1-(4-propyl-2-pyridinyl)pentan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propyl-2-pyridinyl)pentan-2-one is sourced from PubChem (CID 123890630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).