methyl 4-oxo-2,3-dihydropyridine-1-carboxylate

C7H9NO3 — CID 12593370

IUPACmethyl 4-oxo-2,3-dihydropyridine-1-carboxylate
SMILESCOC(=O)N1C=CC(=O)CC1
InChIInChI=1S/C7H9NO3/c1-11-7(10)8-4-2-6(9)3-5-8/h2,4H,3,5H2,1H3
InChIKeyNCFBALCGLIRCSQ-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.54
Rot. Bonds

About methyl 4-oxo-2,3-dihydropyridine-1-carboxylate

methyl 4-oxo-2,3-dihydropyridine-1-carboxylate (PubChem CID 12593370) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is methyl 4-oxo-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-2,3-dihydropyridine-1-carboxylate
PubChem CID12593370
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namemethyl 4-oxo-2,3-dihydropyridine-1-carboxylate
SMILESCOC(=O)N1C=CC(=O)CC1
InChIInChI=1S/C7H9NO3/c1-11-7(10)8-4-2-6(9)3-5-8/h2,4H,3,5H2,1H3
InChIKeyNCFBALCGLIRCSQ-UHFFFAOYSA-N
XLogP0.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of methyl 4-oxo-2,3-dihydropyridine-1-carboxylate (CID 12593370) is methyl 4-oxo-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for methyl 4-oxo-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for methyl 4-oxo-2,3-dihydropyridine-1-carboxylate is COC(=O)N1C=CC(=O)CC1.
What is the InChIKey of methyl 4-oxo-2,3-dihydropyridine-1-carboxylate?
The InChIKey is NCFBALCGLIRCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-11-7(10)8-4-2-6(9)3-5-8/h2,4H,3,5H2,1H3.
What are the key properties of methyl 4-oxo-2,3-dihydropyridine-1-carboxylate?
methyl 4-oxo-2,3-dihydropyridine-1-carboxylate has a molecular weight of 155.15 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 12593370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).