3-cyclohexylpropyl 2-oxopyridine-1-carboxylate

C15H21NO3 — CID 131746476

IUPAC3-cyclohexylpropyl 2-oxopyridine-1-carboxylate
SMILESO=C(OCCCC1CCCCC1)n1ccccc1=O
InChIInChI=1S/C15H21NO3/c17-14-10-4-5-11-16(14)15(18)19-12-6-9-13-7-2-1-3-8-13/h4-5,10-11,13H,1-3,6-9,12H2
InChIKeyWGQLLFIEXWLJOO-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.19
Rot. Bonds4

About 3-cyclohexylpropyl 2-oxopyridine-1-carboxylate

3-cyclohexylpropyl 2-oxopyridine-1-carboxylate (PubChem CID 131746476) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-cyclohexylpropyl 2-oxopyridine-1-carboxylate.

Molecular Properties

Compound Name3-cyclohexylpropyl 2-oxopyridine-1-carboxylate
PubChem CID131746476
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-cyclohexylpropyl 2-oxopyridine-1-carboxylate
SMILESO=C(OCCCC1CCCCC1)n1ccccc1=O
InChIInChI=1S/C15H21NO3/c17-14-10-4-5-11-16(14)15(18)19-12-6-9-13-7-2-1-3-8-13/h4-5,10-11,13H,1-3,6-9,12H2
InChIKeyWGQLLFIEXWLJOO-UHFFFAOYSA-N
XLogP3.19
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.19
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 3-cyclohexylpropyl 2-oxopyridine-1-carboxylate?
The IUPAC name of 3-cyclohexylpropyl 2-oxopyridine-1-carboxylate (CID 131746476) is 3-cyclohexylpropyl 2-oxopyridine-1-carboxylate.
What is the SMILES notation for 3-cyclohexylpropyl 2-oxopyridine-1-carboxylate?
The canonical SMILES for 3-cyclohexylpropyl 2-oxopyridine-1-carboxylate is O=C(OCCCC1CCCCC1)n1ccccc1=O.
What is the InChIKey of 3-cyclohexylpropyl 2-oxopyridine-1-carboxylate?
The InChIKey is WGQLLFIEXWLJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-14-10-4-5-11-16(14)15(18)19-12-6-9-13-7-2-1-3-8-13/h4-5,10-11,13H,1-3,6-9,12H2.
What are the key properties of 3-cyclohexylpropyl 2-oxopyridine-1-carboxylate?
3-cyclohexylpropyl 2-oxopyridine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpropyl 2-oxopyridine-1-carboxylate is sourced from PubChem (CID 131746476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).