1-(5-ethyl-2-pyridinyl)heptan-4-one

C14H21NO — CID 79738865

IUPAC1-(5-ethyl-2-pyridinyl)heptan-4-one
SMILESCCCC(=O)CCCc1ccc(CC)cn1
InChIInChI=1S/C14H21NO/c1-3-6-14(16)8-5-7-13-10-9-12(4-2)11-15-13/h9-11H,3-8H2,1-2H3
InChIKeyNXUOINUIHMFBKS-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.34
Rot. Bonds7

About 1-(5-ethyl-2-pyridinyl)heptan-4-one

1-(5-ethyl-2-pyridinyl)heptan-4-one (PubChem CID 79738865) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)heptan-4-one.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)heptan-4-one
PubChem CID79738865
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(5-ethyl-2-pyridinyl)heptan-4-one
SMILESCCCC(=O)CCCc1ccc(CC)cn1
InChIInChI=1S/C14H21NO/c1-3-6-14(16)8-5-7-13-10-9-12(4-2)11-15-13/h9-11H,3-8H2,1-2H3
InChIKeyNXUOINUIHMFBKS-UHFFFAOYSA-N
XLogP3.34
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-ethyl-2-pyridinyl)butan-1-ol
CID 79737697
1-(4-butylphenyl)heptan-4-one
CID 83921783
7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one
CID 116549923
1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one
CID 79745887
5-(6-ethyl-3-pyridinyl)pentan-2-one
CID 14347476
(E)-4-[4-[3-(5-ethyl-2-pyridinyl)propyl]phenyl]-3-methylbut-3-en-2-one;propan-2-one
CID 142872927
CID 89318794
CID 89318794
1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561045
2-(5-ethyl-2-pyridinyl)ethanamine;hydrochloride
CID 76847658
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one
CID 115786128
1-(4-propoxyphenyl)heptan-4-one
CID 83932327
1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one
CID 116562736

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)heptan-4-one?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)heptan-4-one (CID 79738865) is 1-(5-ethyl-2-pyridinyl)heptan-4-one.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)heptan-4-one?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)heptan-4-one is CCCC(=O)CCCc1ccc(CC)cn1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)heptan-4-one?
The InChIKey is NXUOINUIHMFBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-6-14(16)8-5-7-13-10-9-12(4-2)11-15-13/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)heptan-4-one?
1-(5-ethyl-2-pyridinyl)heptan-4-one has a molecular weight of 219.33 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)heptan-4-one is sourced from PubChem (CID 79738865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).