cyclohexyl 2-methyl-2-pyridin-4-ylpropanoate

C15H21NO2 — CID 14890720

IUPACcyclohexyl 2-methyl-2-pyridin-4-ylpropanoate
SMILESCC(C)(C(=O)OC1CCCCC1)c1ccncc1
InChIInChI=1S/C15H21NO2/c1-15(2,12-8-10-16-11-9-12)14(17)18-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3
InChIKeyKEEFXNAGBDWRRT-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.24
Rot. Bonds3

About cyclohexyl 2-methyl-2-pyridin-4-ylpropanoate

cyclohexyl 2-methyl-2-pyridin-4-ylpropanoate (PubChem CID 14890720) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is cyclohexyl 2-methyl-2-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namecyclohexyl 2-methyl-2-pyridin-4-ylpropanoate
PubChem CID14890720
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namecyclohexyl 2-methyl-2-pyridin-4-ylpropanoate
SMILESCC(C)(C(=O)OC1CCCCC1)c1ccncc1
InChIInChI=1S/C15H21NO2/c1-15(2,12-8-10-16-11-9-12)14(17)18-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3
InChIKeyKEEFXNAGBDWRRT-UHFFFAOYSA-N
XLogP3.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohexyl 2-methyl-2-pyridin-4-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-methyl-2-pyridin-4-ylpropanoate?
The IUPAC name of cyclohexyl 2-methyl-2-pyridin-4-ylpropanoate (CID 14890720) is cyclohexyl 2-methyl-2-pyridin-4-ylpropanoate.
What is the SMILES notation for cyclohexyl 2-methyl-2-pyridin-4-ylpropanoate?
The canonical SMILES for cyclohexyl 2-methyl-2-pyridin-4-ylpropanoate is CC(C)(C(=O)OC1CCCCC1)c1ccncc1.
What is the InChIKey of cyclohexyl 2-methyl-2-pyridin-4-ylpropanoate?
The InChIKey is KEEFXNAGBDWRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,12-8-10-16-11-9-12)14(17)18-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3.
What are the key properties of cyclohexyl 2-methyl-2-pyridin-4-ylpropanoate?
cyclohexyl 2-methyl-2-pyridin-4-ylpropanoate has a molecular weight of 247.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methyl-2-pyridin-4-ylpropanoate is sourced from PubChem (CID 14890720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).