1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone

C15H19NO — CID 103449933

IUPAC1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)C2=CCCCC2)nc1
InChIInChI=1S/C15H19NO/c1-2-12-8-9-14(16-11-12)10-15(17)13-6-4-3-5-7-13/h6,8-9,11H,2-5,7,10H2,1H3
InChIKeySDMRMJNFNHKGBH-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.26
Rot. Bonds4

About 1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone

1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone (PubChem CID 103449933) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone
PubChem CID103449933
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)C2=CCCCC2)nc1
InChIInChI=1S/C15H19NO/c1-2-12-8-9-14(16-11-12)10-15(17)13-6-4-3-5-7-13/h6,8-9,11H,2-5,7,10H2,1H3
InChIKeySDMRMJNFNHKGBH-UHFFFAOYSA-N
XLogP3.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(cyclohepten-1-yl)ethanone
CID 103450574
1-[(1E)-cycloocten-1-yl]-2-(4-methylphenyl)ethanone
CID 106651792
2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79746269
1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 103450602
2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclopentyl)ethanone
CID 115786162
1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone
CID 103450531
1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 115786172
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157
2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone
CID 103450386
1-(4-ethoxyphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 115786182
2-(5-ethyl-2-pyridinyl)-1-(2-fluorophenyl)ethanone
CID 79746106
1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116550422

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone (CID 103449933) is 1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone is CCc1ccc(CC(=O)C2=CCCCC2)nc1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone?
The InChIKey is SDMRMJNFNHKGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-12-8-9-14(16-11-12)10-15(17)13-6-4-3-5-7-13/h6,8-9,11H,2-5,7,10H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone?
1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone has a molecular weight of 229.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 103449933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).