methyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate

C11H15NO5 — CID 19039704

IUPACmethyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate
SMILESCOCCCOn1cccc(C(=O)OC)c1=O
InChIInChI=1S/C11H15NO5/c1-15-7-4-8-17-12-6-3-5-9(10(12)13)11(14)16-2/h3,5-6H,4,7-8H2,1-2H3
InChIKeyLEEOMSFLRYWMRD-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.10
Rot. Bonds6

About methyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate

methyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate (PubChem CID 19039704) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is methyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate
PubChem CID19039704
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Namemethyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate
SMILESCOCCCOn1cccc(C(=O)OC)c1=O
InChIInChI=1S/C11H15NO5/c1-15-7-4-8-17-12-6-3-5-9(10(12)13)11(14)16-2/h3,5-6H,4,7-8H2,1-2H3
InChIKeyLEEOMSFLRYWMRD-UHFFFAOYSA-N
XLogP0.10
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate (CID 19039704) is methyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate is COCCCOn1cccc(C(=O)OC)c1=O.
What is the InChIKey of methyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate?
The InChIKey is LEEOMSFLRYWMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-15-7-4-8-17-12-6-3-5-9(10(12)13)11(14)16-2/h3,5-6H,4,7-8H2,1-2H3.
What are the key properties of methyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate?
methyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate has a molecular weight of 241.24 g/mol, XLogP of 0.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 19039704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).