4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one

C13H17NO2 — CID 83261226

IUPAC4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one
SMILESCCOc1cncc(C2CCC(=O)CC2)c1
InChIInChI=1S/C13H17NO2/c1-2-16-13-7-11(8-14-9-13)10-3-5-12(15)6-4-10/h7-10H,2-6H2,1H3
InChIKeySEWIEOOFQHJEBT-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.71
Rot. Bonds3

About 4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one

4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one (PubChem CID 83261226) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one
PubChem CID83261226
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one
SMILESCCOc1cncc(C2CCC(=O)CC2)c1
InChIInChI=1S/C13H17NO2/c1-2-16-13-7-11(8-14-9-13)10-3-5-12(15)6-4-10/h7-10H,2-6H2,1H3
InChIKeySEWIEOOFQHJEBT-UHFFFAOYSA-N
XLogP2.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-propoxy-3-pyridinyl)cyclohexan-1-one
CID 83262079
4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one
CID 83261333
(5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone
CID 103450649
2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
CID 116709078
4-(4-heptoxyphenyl)cyclohexan-1-one
CID 71477093
2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116555212
(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone
CID 107187365
3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one
CID 115793861
2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol
CID 103170200
5-(3-ethoxyphenyl)cyclohexane-1,3-dione
CID 17122310
5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine
CID 19765513
3-(2,2-difluoroethoxy)-5-ethoxypyridine
CID 150828183

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one?
The IUPAC name of 4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one (CID 83261226) is 4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one.
What is the SMILES notation for 4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one?
The canonical SMILES for 4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one is CCOc1cncc(C2CCC(=O)CC2)c1.
What is the InChIKey of 4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one?
The InChIKey is SEWIEOOFQHJEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-16-13-7-11(8-14-9-13)10-3-5-12(15)6-4-10/h7-10H,2-6H2,1H3.
What are the key properties of 4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one?
4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one is sourced from PubChem (CID 83261226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).