4-cyclopentylbutyl 2-oxopyridine-1-carboxylate

C15H21NO3 — CID 90425091

IUPAC4-cyclopentylbutyl 2-oxopyridine-1-carboxylate
SMILESO=C(OCCCCC1CCCC1)n1ccccc1=O
InChIInChI=1S/C15H21NO3/c17-14-10-3-5-11-16(14)15(18)19-12-6-4-9-13-7-1-2-8-13/h3,5,10-11,13H,1-2,4,6-9,12H2
InChIKeySNYWVCKJMGXCQQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.19
Rot. Bonds5

About 4-cyclopentylbutyl 2-oxopyridine-1-carboxylate

4-cyclopentylbutyl 2-oxopyridine-1-carboxylate (PubChem CID 90425091) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-cyclopentylbutyl 2-oxopyridine-1-carboxylate.

Molecular Properties

Compound Name4-cyclopentylbutyl 2-oxopyridine-1-carboxylate
PubChem CID90425091
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-cyclopentylbutyl 2-oxopyridine-1-carboxylate
SMILESO=C(OCCCCC1CCCC1)n1ccccc1=O
InChIInChI=1S/C15H21NO3/c17-14-10-3-5-11-16(14)15(18)19-12-6-4-9-13-7-1-2-8-13/h3,5,10-11,13H,1-2,4,6-9,12H2
InChIKeySNYWVCKJMGXCQQ-UHFFFAOYSA-N
XLogP3.19
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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 4-cyclopentylbutyl 2-oxopyridine-1-carboxylate?
The IUPAC name of 4-cyclopentylbutyl 2-oxopyridine-1-carboxylate (CID 90425091) is 4-cyclopentylbutyl 2-oxopyridine-1-carboxylate.
What is the SMILES notation for 4-cyclopentylbutyl 2-oxopyridine-1-carboxylate?
The canonical SMILES for 4-cyclopentylbutyl 2-oxopyridine-1-carboxylate is O=C(OCCCCC1CCCC1)n1ccccc1=O.
What is the InChIKey of 4-cyclopentylbutyl 2-oxopyridine-1-carboxylate?
The InChIKey is SNYWVCKJMGXCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-14-10-3-5-11-16(14)15(18)19-12-6-4-9-13-7-1-2-8-13/h3,5,10-11,13H,1-2,4,6-9,12H2.
What are the key properties of 4-cyclopentylbutyl 2-oxopyridine-1-carboxylate?
4-cyclopentylbutyl 2-oxopyridine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylbutyl 2-oxopyridine-1-carboxylate is sourced from PubChem (CID 90425091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).