5-ethyl-1-pyridin-4-ylnonan-3-one

C16H25NO — CID 105081987

IUPAC5-ethyl-1-pyridin-4-ylnonan-3-one
SMILESCCCCC(CC)CC(=O)CCc1ccncc1
InChIInChI=1S/C16H25NO/c1-3-5-6-14(4-2)13-16(18)8-7-15-9-11-17-12-10-15/h9-12,14H,3-8,13H2,1-2H3
InChIKeyKWPIMAFGJHZJRZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.19
Rot. Bonds9

About 5-ethyl-1-pyridin-4-ylnonan-3-one

5-ethyl-1-pyridin-4-ylnonan-3-one (PubChem CID 105081987) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 5-ethyl-1-pyridin-4-ylnonan-3-one.

Molecular Properties

Compound Name5-ethyl-1-pyridin-4-ylnonan-3-one
PubChem CID105081987
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name5-ethyl-1-pyridin-4-ylnonan-3-one
SMILESCCCCC(CC)CC(=O)CCc1ccncc1
InChIInChI=1S/C16H25NO/c1-3-5-6-14(4-2)13-16(18)8-7-15-9-11-17-12-10-15/h9-12,14H,3-8,13H2,1-2H3
InChIKeyKWPIMAFGJHZJRZ-UHFFFAOYSA-N
XLogP4.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-pyridin-4-ylnonan-3-one?
The IUPAC name of 5-ethyl-1-pyridin-4-ylnonan-3-one (CID 105081987) is 5-ethyl-1-pyridin-4-ylnonan-3-one.
What is the SMILES notation for 5-ethyl-1-pyridin-4-ylnonan-3-one?
The canonical SMILES for 5-ethyl-1-pyridin-4-ylnonan-3-one is CCCCC(CC)CC(=O)CCc1ccncc1.
What is the InChIKey of 5-ethyl-1-pyridin-4-ylnonan-3-one?
The InChIKey is KWPIMAFGJHZJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-5-6-14(4-2)13-16(18)8-7-15-9-11-17-12-10-15/h9-12,14H,3-8,13H2,1-2H3.
What are the key properties of 5-ethyl-1-pyridin-4-ylnonan-3-one?
5-ethyl-1-pyridin-4-ylnonan-3-one has a molecular weight of 247.38 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-pyridin-4-ylnonan-3-one is sourced from PubChem (CID 105081987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).