ethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate

C9H15NO2 — CID 45082675

IUPACethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate
SMILESCCOC(=O)[C@H]1CC(C)=CCN1
InChIInChI=1S/C9H15NO2/c1-3-12-9(11)8-6-7(2)4-5-10-8/h4,8,10H,3,5-6H2,1-2H3/t8-/m1/s1
InChIKeyUVJGMSXHDGIATL-MRVPVSSYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds2

About ethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate

ethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate (PubChem CID 45082675) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is ethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate
PubChem CID45082675
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate
SMILESCCOC(=O)[C@H]1CC(C)=CCN1
InChIInChI=1S/C9H15NO2/c1-3-12-9(11)8-6-7(2)4-5-10-8/h4,8,10H,3,5-6H2,1-2H3/t8-/m1/s1
InChIKeyUVJGMSXHDGIATL-MRVPVSSYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 ethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate?
The IUPAC name of ethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate (CID 45082675) is ethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate?
The canonical SMILES for ethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate is CCOC(=O)[C@H]1CC(C)=CCN1.
What is the InChIKey of ethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate?
The InChIKey is UVJGMSXHDGIATL-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-12-9(11)8-6-7(2)4-5-10-8/h4,8,10H,3,5-6H2,1-2H3/t8-/m1/s1.
What are the key properties of ethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate?
ethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate is sourced from PubChem (CID 45082675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).