tert-butyl 2-ethyl-5-oxo-2,6-dihydropyridine-1-carboxylate

C12H19NO3 — CID 123801405

IUPACtert-butyl 2-ethyl-5-oxo-2,6-dihydropyridine-1-carboxylate
SMILESCCC1C=CC(=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO3/c1-5-9-6-7-10(14)8-13(9)11(15)16-12(2,3)4/h6-7,9H,5,8H2,1-4H3
InChIKeyUBFAALJXYXQKFX-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.14
Rot. Bonds1

About tert-butyl 2-ethyl-5-oxo-2,6-dihydropyridine-1-carboxylate

tert-butyl 2-ethyl-5-oxo-2,6-dihydropyridine-1-carboxylate (PubChem CID 123801405) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl 2-ethyl-5-oxo-2,6-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-5-oxo-2,6-dihydropyridine-1-carboxylate
PubChem CID123801405
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nametert-butyl 2-ethyl-5-oxo-2,6-dihydropyridine-1-carboxylate
SMILESCCC1C=CC(=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO3/c1-5-9-6-7-10(14)8-13(9)11(15)16-12(2,3)4/h6-7,9H,5,8H2,1-4H3
InChIKeyUBFAALJXYXQKFX-UHFFFAOYSA-N
XLogP2.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-ethyl-5-oxo-2,6-dihydropyridine-1-carboxylate 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 tert-butyl 2-ethyl-5-oxo-2,6-dihydropyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-ethyl-5-oxo-2,6-dihydropyridine-1-carboxylate (CID 123801405) is tert-butyl 2-ethyl-5-oxo-2,6-dihydropyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethyl-5-oxo-2,6-dihydropyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethyl-5-oxo-2,6-dihydropyridine-1-carboxylate is CCC1C=CC(=O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethyl-5-oxo-2,6-dihydropyridine-1-carboxylate?
The InChIKey is UBFAALJXYXQKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-5-9-6-7-10(14)8-13(9)11(15)16-12(2,3)4/h6-7,9H,5,8H2,1-4H3.
What are the key properties of tert-butyl 2-ethyl-5-oxo-2,6-dihydropyridine-1-carboxylate?
tert-butyl 2-ethyl-5-oxo-2,6-dihydropyridine-1-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-5-oxo-2,6-dihydropyridine-1-carboxylate is sourced from PubChem (CID 123801405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).