ethyl 4-hydroxy-1,2-dimethyl-6-oxo-2,3-dihydropyridine-5-carboxylate

C10H15NO4 — CID 154674224

IUPACethyl 4-hydroxy-1,2-dimethyl-6-oxo-2,3-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)CC(C)N(C)C1=O
InChIInChI=1S/C10H15NO4/c1-4-15-10(14)8-7(12)5-6(2)11(3)9(8)13/h6,12H,4-5H2,1-3H3
InChIKeyFKZMZNROKVPHCX-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.61
Rot. Bonds2

About ethyl 4-hydroxy-1,2-dimethyl-6-oxo-2,3-dihydropyridine-5-carboxylate

ethyl 4-hydroxy-1,2-dimethyl-6-oxo-2,3-dihydropyridine-5-carboxylate (PubChem CID 154674224) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is ethyl 4-hydroxy-1,2-dimethyl-6-oxo-2,3-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1,2-dimethyl-6-oxo-2,3-dihydropyridine-5-carboxylate
PubChem CID154674224
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameethyl 4-hydroxy-1,2-dimethyl-6-oxo-2,3-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)CC(C)N(C)C1=O
InChIInChI=1S/C10H15NO4/c1-4-15-10(14)8-7(12)5-6(2)11(3)9(8)13/h6,12H,4-5H2,1-3H3
InChIKeyFKZMZNROKVPHCX-UHFFFAOYSA-N
XLogP0.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

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1-O-tert-butyl 5-O-ethyl 4-hydroxy-6-methyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
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ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate
CID 84820035
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CID 135069663
1-O-ethyl 3-O-methyl 2-methyl-5-oxocyclopentene-1,3-dicarboxylate
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ethyl 4-hydroxy-1-(3-methylbutyl)-2-oxo-6,7-dihydropyrrolo[1,2-b]pyridazine-3-carboxylate
CID 71129274
ethyl 3-amino-2-methyl-5-oxo-2H-furan-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1,2-dimethyl-6-oxo-2,3-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1,2-dimethyl-6-oxo-2,3-dihydropyridine-5-carboxylate (CID 154674224) is ethyl 4-hydroxy-1,2-dimethyl-6-oxo-2,3-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1,2-dimethyl-6-oxo-2,3-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1,2-dimethyl-6-oxo-2,3-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(O)CC(C)N(C)C1=O.
What is the InChIKey of ethyl 4-hydroxy-1,2-dimethyl-6-oxo-2,3-dihydropyridine-5-carboxylate?
The InChIKey is FKZMZNROKVPHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-4-15-10(14)8-7(12)5-6(2)11(3)9(8)13/h6,12H,4-5H2,1-3H3.
What are the key properties of ethyl 4-hydroxy-1,2-dimethyl-6-oxo-2,3-dihydropyridine-5-carboxylate?
ethyl 4-hydroxy-1,2-dimethyl-6-oxo-2,3-dihydropyridine-5-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1,2-dimethyl-6-oxo-2,3-dihydropyridine-5-carboxylate is sourced from PubChem (CID 154674224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).