ethyl 4-(methoxymethyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate

C10H15NO4 — CID 91182445

IUPACethyl 4-(methoxymethyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(COC)CCNC1=O
InChIInChI=1S/C10H15NO4/c1-3-15-10(13)8-7(6-14-2)4-5-11-9(8)12/h3-6H2,1-2H3,(H,11,12)
InChIKeyXFWSZXJZCSJDHH-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.01
Rot. Bonds4

About ethyl 4-(methoxymethyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate

ethyl 4-(methoxymethyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate (PubChem CID 91182445) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is ethyl 4-(methoxymethyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methoxymethyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate
PubChem CID91182445
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameethyl 4-(methoxymethyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(COC)CCNC1=O
InChIInChI=1S/C10H15NO4/c1-3-15-10(13)8-7(6-14-2)4-5-11-9(8)12/h3-6H2,1-2H3,(H,11,12)
InChIKeyXFWSZXJZCSJDHH-UHFFFAOYSA-N
XLogP0.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.01
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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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methoxymethyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(methoxymethyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate (CID 91182445) is ethyl 4-(methoxymethyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(methoxymethyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(methoxymethyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate is CCOC(=O)C1=C(COC)CCNC1=O.
What is the InChIKey of ethyl 4-(methoxymethyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is XFWSZXJZCSJDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-15-10(13)8-7(6-14-2)4-5-11-9(8)12/h3-6H2,1-2H3,(H,11,12).
What are the key properties of ethyl 4-(methoxymethyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate?
ethyl 4-(methoxymethyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methoxymethyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 91182445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).