4-ethyl-1-pyridin-2-ylhexan-3-one

C13H19NO — CID 105117455

IUPAC4-ethyl-1-pyridin-2-ylhexan-3-one
SMILESCCC(CC)C(=O)CCc1ccccn1
InChIInChI=1S/C13H19NO/c1-3-11(4-2)13(15)9-8-12-7-5-6-10-14-12/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyDRRVPZFJRCDXRD-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.02
Rot. Bonds6

About 4-ethyl-1-pyridin-2-ylhexan-3-one

4-ethyl-1-pyridin-2-ylhexan-3-one (PubChem CID 105117455) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-ethyl-1-pyridin-2-ylhexan-3-one.

Molecular Properties

Compound Name4-ethyl-1-pyridin-2-ylhexan-3-one
PubChem CID105117455
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-ethyl-1-pyridin-2-ylhexan-3-one
SMILESCCC(CC)C(=O)CCc1ccccn1
InChIInChI=1S/C13H19NO/c1-3-11(4-2)13(15)9-8-12-7-5-6-10-14-12/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyDRRVPZFJRCDXRD-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-phenylhexan-3-one
CID 71072308
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1,4-dipyridin-2-ylbutan-2-one
CID 105108067
3-pyridin-2-ylpropanoyl chloride;hydrochloride
CID 87464337
5-methyl-1-pyridin-2-yloctan-3-one
CID 105091398
4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 54563679
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
7-methyl-1-pyridin-2-yloctan-3-one
CID 105125665
(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 81454532
1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one
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2-(2-pyridin-2-ylethylsulfinyl)butanoic acid
CID 105355671

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-pyridin-2-ylhexan-3-one?
The IUPAC name of 4-ethyl-1-pyridin-2-ylhexan-3-one (CID 105117455) is 4-ethyl-1-pyridin-2-ylhexan-3-one.
What is the SMILES notation for 4-ethyl-1-pyridin-2-ylhexan-3-one?
The canonical SMILES for 4-ethyl-1-pyridin-2-ylhexan-3-one is CCC(CC)C(=O)CCc1ccccn1.
What is the InChIKey of 4-ethyl-1-pyridin-2-ylhexan-3-one?
The InChIKey is DRRVPZFJRCDXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-11(4-2)13(15)9-8-12-7-5-6-10-14-12/h5-7,10-11H,3-4,8-9H2,1-2H3.
What are the key properties of 4-ethyl-1-pyridin-2-ylhexan-3-one?
4-ethyl-1-pyridin-2-ylhexan-3-one has a molecular weight of 205.30 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-pyridin-2-ylhexan-3-one is sourced from PubChem (CID 105117455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).