cyclohexyl 2-pyridin-4-ylpropanoate

C14H19NO2 — CID 14890719

IUPACcyclohexyl 2-pyridin-4-ylpropanoate
SMILESCC(C(=O)OC1CCCCC1)c1ccncc1
InChIInChI=1S/C14H19NO2/c1-11(12-7-9-15-10-8-12)14(16)17-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3
InChIKeyZUSBLVRUYCSEGN-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.06
Rot. Bonds3

About cyclohexyl 2-pyridin-4-ylpropanoate

cyclohexyl 2-pyridin-4-ylpropanoate (PubChem CID 14890719) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is cyclohexyl 2-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namecyclohexyl 2-pyridin-4-ylpropanoate
PubChem CID14890719
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namecyclohexyl 2-pyridin-4-ylpropanoate
SMILESCC(C(=O)OC1CCCCC1)c1ccncc1
InChIInChI=1S/C14H19NO2/c1-11(12-7-9-15-10-8-12)14(16)17-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3
InChIKeyZUSBLVRUYCSEGN-UHFFFAOYSA-N
XLogP3.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-pyridin-4-ylpropanoate?
The IUPAC name of cyclohexyl 2-pyridin-4-ylpropanoate (CID 14890719) is cyclohexyl 2-pyridin-4-ylpropanoate.
What is the SMILES notation for cyclohexyl 2-pyridin-4-ylpropanoate?
The canonical SMILES for cyclohexyl 2-pyridin-4-ylpropanoate is CC(C(=O)OC1CCCCC1)c1ccncc1.
What is the InChIKey of cyclohexyl 2-pyridin-4-ylpropanoate?
The InChIKey is ZUSBLVRUYCSEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(12-7-9-15-10-8-12)14(16)17-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3.
What are the key properties of cyclohexyl 2-pyridin-4-ylpropanoate?
cyclohexyl 2-pyridin-4-ylpropanoate has a molecular weight of 233.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-pyridin-4-ylpropanoate is sourced from PubChem (CID 14890719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).