nonyl 2-oxopyridine-1-carboxylate

C15H23NO3 — CID 90425363

IUPACnonyl 2-oxopyridine-1-carboxylate
SMILESCCCCCCCCCOC(=O)n1ccccc1=O
InChIInChI=1S/C15H23NO3/c1-2-3-4-5-6-7-10-13-19-15(18)16-12-9-8-11-14(16)17/h8-9,11-12H,2-7,10,13H2,1H3
InChIKeySCMUTTGIQDKQOX-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.58
Rot. Bonds8

About nonyl 2-oxopyridine-1-carboxylate

nonyl 2-oxopyridine-1-carboxylate (PubChem CID 90425363) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is nonyl 2-oxopyridine-1-carboxylate.

Molecular Properties

Compound Namenonyl 2-oxopyridine-1-carboxylate
PubChem CID90425363
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namenonyl 2-oxopyridine-1-carboxylate
SMILESCCCCCCCCCOC(=O)n1ccccc1=O
InChIInChI=1S/C15H23NO3/c1-2-3-4-5-6-7-10-13-19-15(18)16-12-9-8-11-14(16)17/h8-9,11-12H,2-7,10,13H2,1H3
InChIKeySCMUTTGIQDKQOX-UHFFFAOYSA-N
XLogP3.58
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.58
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 nonyl 2-oxopyridine-1-carboxylate?
The IUPAC name of nonyl 2-oxopyridine-1-carboxylate (CID 90425363) is nonyl 2-oxopyridine-1-carboxylate.
What is the SMILES notation for nonyl 2-oxopyridine-1-carboxylate?
The canonical SMILES for nonyl 2-oxopyridine-1-carboxylate is CCCCCCCCCOC(=O)n1ccccc1=O.
What is the InChIKey of nonyl 2-oxopyridine-1-carboxylate?
The InChIKey is SCMUTTGIQDKQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-3-4-5-6-7-10-13-19-15(18)16-12-9-8-11-14(16)17/h8-9,11-12H,2-7,10,13H2,1H3.
What are the key properties of nonyl 2-oxopyridine-1-carboxylate?
nonyl 2-oxopyridine-1-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-oxopyridine-1-carboxylate is sourced from PubChem (CID 90425363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).