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

C11H15NO — CID 82730826

IUPAC1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one
SMILESCCc1cccnc1C(=O)C(C)C
InChIInChI=1S/C11H15NO/c1-4-9-6-5-7-12-10(9)11(13)8(2)3/h5-8H,4H2,1-3H3
InChIKeyHXILCOITUSUUKN-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.48
Rot. Bonds3

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

1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one (PubChem CID 82730826) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one
PubChem CID82730826
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one
SMILESCCc1cccnc1C(=O)C(C)C
InChIInChI=1S/C11H15NO/c1-4-9-6-5-7-12-10(9)11(13)8(2)3/h5-8H,4H2,1-3H3
InChIKeyHXILCOITUSUUKN-UHFFFAOYSA-N
XLogP2.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one
CID 82730694
methyl 2-(3-ethylpyridine-2-carbonyl)-3-methylbutanoate
CID 82740931
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone
CID 82730236
1-(3-ethyl-2-pyridinyl)-4,4-dimethylpentan-1-one
CID 82730843
1-(3-ethyl-2-pyridinyl)octan-1-one
CID 82730570
(3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543464
(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
1-(2-ethylphenyl)-3-methylbutan-2-one
CID 20612116
ethyl 4-(3-ethyl-2-pyridinyl)-4-oxobutanoate
CID 82741416

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one (CID 82730826) is 1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one is CCc1cccnc1C(=O)C(C)C.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one?
The InChIKey is HXILCOITUSUUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-9-6-5-7-12-10(9)11(13)8(2)3/h5-8H,4H2,1-3H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one?
1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one has a molecular weight of 177.25 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one is sourced from PubChem (CID 82730826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).