decyl 2-oxopyridine-1-carboxylate

C16H25NO3 — CID 90424508

IUPACdecyl 2-oxopyridine-1-carboxylate
SMILESCCCCCCCCCCOC(=O)n1ccccc1=O
InChIInChI=1S/C16H25NO3/c1-2-3-4-5-6-7-8-11-14-20-16(19)17-13-10-9-12-15(17)18/h9-10,12-13H,2-8,11,14H2,1H3
InChIKeyNHEPCYZFZAOBSF-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.97
Rot. Bonds9

About decyl 2-oxopyridine-1-carboxylate

decyl 2-oxopyridine-1-carboxylate (PubChem CID 90424508) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is decyl 2-oxopyridine-1-carboxylate.

Molecular Properties

Compound Namedecyl 2-oxopyridine-1-carboxylate
PubChem CID90424508
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namedecyl 2-oxopyridine-1-carboxylate
SMILESCCCCCCCCCCOC(=O)n1ccccc1=O
InChIInChI=1S/C16H25NO3/c1-2-3-4-5-6-7-8-11-14-20-16(19)17-13-10-9-12-15(17)18/h9-10,12-13H,2-8,11,14H2,1H3
InChIKeyNHEPCYZFZAOBSF-UHFFFAOYSA-N
XLogP3.97
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 decyl 2-oxopyridine-1-carboxylate?
The IUPAC name of decyl 2-oxopyridine-1-carboxylate (CID 90424508) is decyl 2-oxopyridine-1-carboxylate.
What is the SMILES notation for decyl 2-oxopyridine-1-carboxylate?
The canonical SMILES for decyl 2-oxopyridine-1-carboxylate is CCCCCCCCCCOC(=O)n1ccccc1=O.
What is the InChIKey of decyl 2-oxopyridine-1-carboxylate?
The InChIKey is NHEPCYZFZAOBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-3-4-5-6-7-8-11-14-20-16(19)17-13-10-9-12-15(17)18/h9-10,12-13H,2-8,11,14H2,1H3.
What are the key properties of decyl 2-oxopyridine-1-carboxylate?
decyl 2-oxopyridine-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-oxopyridine-1-carboxylate is sourced from PubChem (CID 90424508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).