4-cyclohexyl-1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid

C14H23NO2 — CID 19387968

IUPAC4-cyclohexyl-1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
SMILESCCN1CC=C(C2CCCCC2)C(C(=O)O)C1
InChIInChI=1S/C14H23NO2/c1-2-15-9-8-12(13(10-15)14(16)17)11-6-4-3-5-7-11/h8,11,13H,2-7,9-10H2,1H3,(H,16,17)
InChIKeyYEZIQEMIRDGBHG-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.53
Rot. Bonds3

About 4-cyclohexyl-1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid

4-cyclohexyl-1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid (PubChem CID 19387968) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-cyclohexyl-1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyl-1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
PubChem CID19387968
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-cyclohexyl-1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
SMILESCCN1CC=C(C2CCCCC2)C(C(=O)O)C1
InChIInChI=1S/C14H23NO2/c1-2-15-9-8-12(13(10-15)14(16)17)11-6-4-3-5-7-11/h8,11,13H,2-7,9-10H2,1H3,(H,16,17)
InChIKeyYEZIQEMIRDGBHG-UHFFFAOYSA-N
XLogP2.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid?
The IUPAC name of 4-cyclohexyl-1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid (CID 19387968) is 4-cyclohexyl-1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-cyclohexyl-1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-cyclohexyl-1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid is CCN1CC=C(C2CCCCC2)C(C(=O)O)C1.
What is the InChIKey of 4-cyclohexyl-1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid?
The InChIKey is YEZIQEMIRDGBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-15-9-8-12(13(10-15)14(16)17)11-6-4-3-5-7-11/h8,11,13H,2-7,9-10H2,1H3,(H,16,17).
What are the key properties of 4-cyclohexyl-1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid?
4-cyclohexyl-1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid has a molecular weight of 237.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid is sourced from PubChem (CID 19387968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).