[(2S)-nonan-2-yl] 2-oxopyridine-1-carboxylate

C15H23NO3 — CID 86699917

IUPAC[(2S)-nonan-2-yl] 2-oxopyridine-1-carboxylate
SMILESCCCCCCC[C@H](C)OC(=O)n1ccccc1=O
InChIInChI=1S/C15H23NO3/c1-3-4-5-6-7-10-13(2)19-15(18)16-12-9-8-11-14(16)17/h8-9,11-13H,3-7,10H2,1-2H3/t13-/m0/s1
InChIKeyUOUQJUDDVFOYLT-ZDUSSCGKSA-N
MW265.35 g/mol
LogP3.58
Rot. Bonds7

About [(2S)-nonan-2-yl] 2-oxopyridine-1-carboxylate

[(2S)-nonan-2-yl] 2-oxopyridine-1-carboxylate (PubChem CID 86699917) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [(2S)-nonan-2-yl] 2-oxopyridine-1-carboxylate.

Molecular Properties

Compound Name[(2S)-nonan-2-yl] 2-oxopyridine-1-carboxylate
PubChem CID86699917
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[(2S)-nonan-2-yl] 2-oxopyridine-1-carboxylate
SMILESCCCCCCC[C@H](C)OC(=O)n1ccccc1=O
InChIInChI=1S/C15H23NO3/c1-3-4-5-6-7-10-13(2)19-15(18)16-12-9-8-11-14(16)17/h8-9,11-13H,3-7,10H2,1-2H3/t13-/m0/s1
InChIKeyUOUQJUDDVFOYLT-ZDUSSCGKSA-N
XLogP3.58
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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 [(2S)-nonan-2-yl] 2-oxopyridine-1-carboxylate?
The IUPAC name of [(2S)-nonan-2-yl] 2-oxopyridine-1-carboxylate (CID 86699917) is [(2S)-nonan-2-yl] 2-oxopyridine-1-carboxylate.
What is the SMILES notation for [(2S)-nonan-2-yl] 2-oxopyridine-1-carboxylate?
The canonical SMILES for [(2S)-nonan-2-yl] 2-oxopyridine-1-carboxylate is CCCCCCC[C@H](C)OC(=O)n1ccccc1=O.
What is the InChIKey of [(2S)-nonan-2-yl] 2-oxopyridine-1-carboxylate?
The InChIKey is UOUQJUDDVFOYLT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-4-5-6-7-10-13(2)19-15(18)16-12-9-8-11-14(16)17/h8-9,11-13H,3-7,10H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-nonan-2-yl] 2-oxopyridine-1-carboxylate?
[(2S)-nonan-2-yl] 2-oxopyridine-1-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-nonan-2-yl] 2-oxopyridine-1-carboxylate is sourced from PubChem (CID 86699917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).