1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one

C14H21NO2 — CID 116746778

IUPAC1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one
SMILESCCc1ccc(CC(=O)C(C)(CC)OC)nc1
InChIInChI=1S/C14H21NO2/c1-5-11-7-8-12(15-10-11)9-13(16)14(3,6-2)17-4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyAJKKFLICTKDWOZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.57
Rot. Bonds6

About 1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one

1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one (PubChem CID 116746778) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one
PubChem CID116746778
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one
SMILESCCc1ccc(CC(=O)C(C)(CC)OC)nc1
InChIInChI=1S/C14H21NO2/c1-5-11-7-8-12(15-10-11)9-13(16)14(3,6-2)17-4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyAJKKFLICTKDWOZ-UHFFFAOYSA-N
XLogP2.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157
3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
CID 79745096
3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
CID 116566003
3-methoxy-3-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 116746756
1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one
CID 79745887
1-(4-ethoxyphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 115786182
1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one
CID 103451397
3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol
CID 116752855
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one
CID 115786128
1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one
CID 104799191
1-(4-amino-3-pyridinyl)-3-methoxy-3-methylpentan-2-one
CID 116746767
2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848103

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one (CID 116746778) is 1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one is CCc1ccc(CC(=O)C(C)(CC)OC)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one?
The InChIKey is AJKKFLICTKDWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-11-7-8-12(15-10-11)9-13(16)14(3,6-2)17-4/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one?
1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one is sourced from PubChem (CID 116746778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).