5-cyclohexylpentyl 2-oxopyridine-1-carboxylate

C17H25NO3 — CID 86699944

IUPAC5-cyclohexylpentyl 2-oxopyridine-1-carboxylate
SMILESO=C(OCCCCCC1CCCCC1)n1ccccc1=O
InChIInChI=1S/C17H25NO3/c19-16-12-6-7-13-18(16)17(20)21-14-8-2-5-11-15-9-3-1-4-10-15/h6-7,12-13,15H,1-5,8-11,14H2
InChIKeyPDLILLGDTNNXQZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.97
Rot. Bonds6

About 5-cyclohexylpentyl 2-oxopyridine-1-carboxylate

5-cyclohexylpentyl 2-oxopyridine-1-carboxylate (PubChem CID 86699944) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-cyclohexylpentyl 2-oxopyridine-1-carboxylate.

Molecular Properties

Compound Name5-cyclohexylpentyl 2-oxopyridine-1-carboxylate
PubChem CID86699944
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name5-cyclohexylpentyl 2-oxopyridine-1-carboxylate
SMILESO=C(OCCCCCC1CCCCC1)n1ccccc1=O
InChIInChI=1S/C17H25NO3/c19-16-12-6-7-13-18(16)17(20)21-14-8-2-5-11-15-9-3-1-4-10-15/h6-7,12-13,15H,1-5,8-11,14H2
InChIKeyPDLILLGDTNNXQZ-UHFFFAOYSA-N
XLogP3.97
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
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 5-cyclohexylpentyl 2-oxopyridine-1-carboxylate?
The IUPAC name of 5-cyclohexylpentyl 2-oxopyridine-1-carboxylate (CID 86699944) is 5-cyclohexylpentyl 2-oxopyridine-1-carboxylate.
What is the SMILES notation for 5-cyclohexylpentyl 2-oxopyridine-1-carboxylate?
The canonical SMILES for 5-cyclohexylpentyl 2-oxopyridine-1-carboxylate is O=C(OCCCCCC1CCCCC1)n1ccccc1=O.
What is the InChIKey of 5-cyclohexylpentyl 2-oxopyridine-1-carboxylate?
The InChIKey is PDLILLGDTNNXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-16-12-6-7-13-18(16)17(20)21-14-8-2-5-11-15-9-3-1-4-10-15/h6-7,12-13,15H,1-5,8-11,14H2.
What are the key properties of 5-cyclohexylpentyl 2-oxopyridine-1-carboxylate?
5-cyclohexylpentyl 2-oxopyridine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylpentyl 2-oxopyridine-1-carboxylate is sourced from PubChem (CID 86699944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).