1-(6-ethyl-2-methyl-3-pyridinyl)pentan-2-one

C13H19NO — CID 166146548

IUPAC1-(6-ethyl-2-methyl-3-pyridinyl)pentan-2-one
SMILESCCCC(=O)Cc1ccc(CC)nc1C
InChIInChI=1S/C13H19NO/c1-4-6-13(15)9-11-7-8-12(5-2)14-10(11)3/h7-8H,4-6,9H2,1-3H3
InChIKeyMPUFXYUWFRRBKF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.86
Rot. Bonds5

About 1-(6-ethyl-2-methyl-3-pyridinyl)pentan-2-one

1-(6-ethyl-2-methyl-3-pyridinyl)pentan-2-one (PubChem CID 166146548) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(6-ethyl-2-methyl-3-pyridinyl)pentan-2-one.

Molecular Properties

Compound Name1-(6-ethyl-2-methyl-3-pyridinyl)pentan-2-one
PubChem CID166146548
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(6-ethyl-2-methyl-3-pyridinyl)pentan-2-one
SMILESCCCC(=O)Cc1ccc(CC)nc1C
InChIInChI=1S/C13H19NO/c1-4-6-13(15)9-11-7-8-12(5-2)14-10(11)3/h7-8H,4-6,9H2,1-3H3
InChIKeyMPUFXYUWFRRBKF-UHFFFAOYSA-N
XLogP2.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-methyl-3-pyridinyl)pentan-2-one?
The IUPAC name of 1-(6-ethyl-2-methyl-3-pyridinyl)pentan-2-one (CID 166146548) is 1-(6-ethyl-2-methyl-3-pyridinyl)pentan-2-one.
What is the SMILES notation for 1-(6-ethyl-2-methyl-3-pyridinyl)pentan-2-one?
The canonical SMILES for 1-(6-ethyl-2-methyl-3-pyridinyl)pentan-2-one is CCCC(=O)Cc1ccc(CC)nc1C.
What is the InChIKey of 1-(6-ethyl-2-methyl-3-pyridinyl)pentan-2-one?
The InChIKey is MPUFXYUWFRRBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-6-13(15)9-11-7-8-12(5-2)14-10(11)3/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 1-(6-ethyl-2-methyl-3-pyridinyl)pentan-2-one?
1-(6-ethyl-2-methyl-3-pyridinyl)pentan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-methyl-3-pyridinyl)pentan-2-one is sourced from PubChem (CID 166146548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).