2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one

C13H19NO — CID 82730694

IUPAC2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one
SMILESCCc1cccnc1C(=O)C(CC)CC
InChIInChI=1S/C13H19NO/c1-4-10(5-2)13(15)12-11(6-3)8-7-9-14-12/h7-10H,4-6H2,1-3H3
InChIKeyHGDCSGKRSUUQBW-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.26
Rot. Bonds5

About 2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one

2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one (PubChem CID 82730694) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one
PubChem CID82730694
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one
SMILESCCc1cccnc1C(=O)C(CC)CC
InChIInChI=1S/C13H19NO/c1-4-10(5-2)13(15)12-11(6-3)8-7-9-14-12/h7-10H,4-6H2,1-3H3
InChIKeyHGDCSGKRSUUQBW-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one
CID 82730826
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
methyl 2-(3-ethylpyridine-2-carbonyl)-3-methylbutanoate
CID 82740931
1-(3-ethyl-2-pyridinyl)-4,4-dimethylpentan-1-one
CID 82730843
1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone
CID 82730236
1-(3-ethyl-2-pyridinyl)octan-1-one
CID 82730570
(3-ethyl-2-pyridinyl)-(furan-2-yl)methanone
CID 82729679
(3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone
CID 82730250
3-(2-ethylphenyl)pyridine-2-carboxamide
CID 174881246
ethyl 4-(3-ethyl-2-pyridinyl)-4-oxobutanoate
CID 82741416
3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730447

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one?
The IUPAC name of 2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one (CID 82730694) is 2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one is CCc1cccnc1C(=O)C(CC)CC.
What is the InChIKey of 2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one?
The InChIKey is HGDCSGKRSUUQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-10(5-2)13(15)12-11(6-3)8-7-9-14-12/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one?
2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one has a molecular weight of 205.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one is sourced from PubChem (CID 82730694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).