ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate

C14H15NO3 — CID 58819942

IUPACethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate
SMILESCCOC(=O)C1CC(=O)C=CN1c1ccccc1
InChIInChI=1S/C14H15NO3/c1-2-18-14(17)13-10-12(16)8-9-15(13)11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3
InChIKeyOKFRETDMKKWULG-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.91
Rot. Bonds3

About ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate

ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate (PubChem CID 58819942) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate
PubChem CID58819942
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate
SMILESCCOC(=O)C1CC(=O)C=CN1c1ccccc1
InChIInChI=1S/C14H15NO3/c1-2-18-14(17)13-10-12(16)8-9-15(13)11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3
InChIKeyOKFRETDMKKWULG-UHFFFAOYSA-N
XLogP1.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate?
The IUPAC name of ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate (CID 58819942) is ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate is CCOC(=O)C1CC(=O)C=CN1c1ccccc1.
What is the InChIKey of ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate?
The InChIKey is OKFRETDMKKWULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-18-14(17)13-10-12(16)8-9-15(13)11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3.
What are the key properties of ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate?
ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate is sourced from PubChem (CID 58819942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).