ethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate

C13H21NO2 — CID 132822328

IUPACethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=CN(C2CCCC2)CCC1
InChIInChI=1S/C13H21NO2/c1-2-16-13(15)11-6-5-9-14(10-11)12-7-3-4-8-12/h10,12H,2-9H2,1H3
InChIKeyOSKWXOFXOMMHOO-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.47
Rot. Bonds3

About ethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate

ethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate (PubChem CID 132822328) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is ethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate
PubChem CID132822328
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nameethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=CN(C2CCCC2)CCC1
InChIInChI=1S/C13H21NO2/c1-2-16-13(15)11-6-5-9-14(10-11)12-7-3-4-8-12/h10,12H,2-9H2,1H3
InChIKeyOSKWXOFXOMMHOO-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate (CID 132822328) is ethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=CN(C2CCCC2)CCC1.
What is the InChIKey of ethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is OSKWXOFXOMMHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-16-13(15)11-6-5-9-14(10-11)12-7-3-4-8-12/h10,12H,2-9H2,1H3.
What are the key properties of ethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate?
ethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 223.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 132822328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).