2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone

C15H21NO — CID 82729797

IUPAC2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone
SMILESCCc1cccnc1C(=O)CC1CCCCC1
InChIInChI=1S/C15H21NO/c1-2-13-9-6-10-16-15(13)14(17)11-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3
InChIKeyHYKWQTACAHCERU-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.80
Rot. Bonds4

About 2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone

2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone (PubChem CID 82729797) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone
PubChem CID82729797
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone
SMILESCCc1cccnc1C(=O)CC1CCCCC1
InChIInChI=1S/C15H21NO/c1-2-13-9-6-10-16-15(13)14(17)11-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3
InChIKeyHYKWQTACAHCERU-UHFFFAOYSA-N
XLogP3.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-2-pyridinyl)-2-cyclobutylethanone
CID 116613726
(3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone
CID 82731354
1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one
CID 114458215
1-(3-ethyl-2-pyridinyl)-4,4-dimethylpentan-1-one
CID 82730843
2-(3,3-difluorocyclohexyl)-1-(3-fluoro-2-pyridinyl)ethanone
CID 114224626
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158
1-(3-ethyl-2-pyridinyl)octan-1-one
CID 82730570
1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one
CID 82729556
1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one
CID 82730826
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one
CID 114054354
N-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide
CID 82344080

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone (CID 82729797) is 2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone is CCc1cccnc1C(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone?
The InChIKey is HYKWQTACAHCERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-13-9-6-10-16-15(13)14(17)11-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3.
What are the key properties of 2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone?
2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 82729797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).