methyl 6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate

C7H9NO3 — CID 15060741

IUPACmethyl 6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CCCNC1=O
InChIInChI=1S/C7H9NO3/c1-11-7(10)5-3-2-4-8-6(5)9/h3H,2,4H2,1H3,(H,8,9)
InChIKeyNEOGBNRMETYSBW-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.39
Rot. Bonds1

About methyl 6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate

methyl 6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate (PubChem CID 15060741) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is methyl 6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate
PubChem CID15060741
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namemethyl 6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CCCNC1=O
InChIInChI=1S/C7H9NO3/c1-11-7(10)5-3-2-4-8-6(5)9/h3H,2,4H2,1H3,(H,8,9)
InChIKeyNEOGBNRMETYSBW-UHFFFAOYSA-N
XLogP-0.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 methyl 6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of methyl 6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate (CID 15060741) is methyl 6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for methyl 6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate is COC(=O)C1=CCCNC1=O.
What is the InChIKey of methyl 6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is NEOGBNRMETYSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-11-7(10)5-3-2-4-8-6(5)9/h3H,2,4H2,1H3,(H,8,9).
What are the key properties of methyl 6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate?
methyl 6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 155.15 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 15060741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).