ethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate

C10H17NO2 — CID 57254010

IUPACethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate
SMILESCCOC(=O)C1CC(CC)CC=N1
InChIInChI=1S/C10H17NO2/c1-3-8-5-6-11-9(7-8)10(12)13-4-2/h6,8-9H,3-5,7H2,1-2H3
InChIKeyKDMLQSUFOUVKDS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.81
Rot. Bonds3

About ethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate

ethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate (PubChem CID 57254010) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate
PubChem CID57254010
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate
SMILESCCOC(=O)C1CC(CC)CC=N1
InChIInChI=1S/C10H17NO2/c1-3-8-5-6-11-9(7-8)10(12)13-4-2/h6,8-9H,3-5,7H2,1-2H3
InChIKeyKDMLQSUFOUVKDS-UHFFFAOYSA-N
XLogP1.81
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate?
The IUPAC name of ethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate (CID 57254010) is ethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate?
The canonical SMILES for ethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate is CCOC(=O)C1CC(CC)CC=N1.
What is the InChIKey of ethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate?
The InChIKey is KDMLQSUFOUVKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-8-5-6-11-9(7-8)10(12)13-4-2/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of ethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate?
ethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate is sourced from PubChem (CID 57254010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).