3-cyclopentylpropyl 2-oxopyridine-1-carboxylate

C14H19NO3 — CID 131746477

IUPAC3-cyclopentylpropyl 2-oxopyridine-1-carboxylate
SMILESO=C(OCCCC1CCCC1)n1ccccc1=O
InChIInChI=1S/C14H19NO3/c16-13-9-3-4-10-15(13)14(17)18-11-5-8-12-6-1-2-7-12/h3-4,9-10,12H,1-2,5-8,11H2
InChIKeyKTOAOXNPXXXMHT-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.80
Rot. Bonds4

About 3-cyclopentylpropyl 2-oxopyridine-1-carboxylate

3-cyclopentylpropyl 2-oxopyridine-1-carboxylate (PubChem CID 131746477) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-cyclopentylpropyl 2-oxopyridine-1-carboxylate.

Molecular Properties

Compound Name3-cyclopentylpropyl 2-oxopyridine-1-carboxylate
PubChem CID131746477
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-cyclopentylpropyl 2-oxopyridine-1-carboxylate
SMILESO=C(OCCCC1CCCC1)n1ccccc1=O
InChIInChI=1S/C14H19NO3/c16-13-9-3-4-10-15(13)14(17)18-11-5-8-12-6-1-2-7-12/h3-4,9-10,12H,1-2,5-8,11H2
InChIKeyKTOAOXNPXXXMHT-UHFFFAOYSA-N
XLogP2.80
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.80
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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Related Compounds

(4,4-Difluorocyclohexyl)methyl 2-oxopyridine-1-carboxylate
CID 90424260
4-(4,4-Difluorocyclohexyl)butyl 2-oxopyridine-1-carboxylate
CID 90424557
[(1S)-1-methyloctyl]-2-oxopyridine 1-carboxylate
CID 86699917
5-Cyclohexylpentyl 2-oxopyridine 1-carboxylate
CID 86699944
Heptyl-2-oxopyridine-1-carboxylate
CID 86699953
Decyl-2-oxopyridine-1-carboxylate
CID 90424508
4-Cyclopentylbutyl 2-oxopyridine-1-carboxylate
CID 90425091
Nonyl-2-oxopyridine-1-carboxylate
CID 90425363
Octyl-2-oxopyridine-1-carboxylate
CID 90425464
(4-Propylcyclohexyl)methyl 2-oxopyridine-1-carboxylate
CID 118915555
(4-Butylcyclohexyl) 2-oxopyridine-1-carboxylate
CID 118915631
4-Cyclohexylbutyl-2-oxopyridine-1-carboxylate
CID 131746473

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylpropyl 2-oxopyridine-1-carboxylate?
The IUPAC name of 3-cyclopentylpropyl 2-oxopyridine-1-carboxylate (CID 131746477) is 3-cyclopentylpropyl 2-oxopyridine-1-carboxylate.
What is the SMILES notation for 3-cyclopentylpropyl 2-oxopyridine-1-carboxylate?
The canonical SMILES for 3-cyclopentylpropyl 2-oxopyridine-1-carboxylate is O=C(OCCCC1CCCC1)n1ccccc1=O.
What is the InChIKey of 3-cyclopentylpropyl 2-oxopyridine-1-carboxylate?
The InChIKey is KTOAOXNPXXXMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13-9-3-4-10-15(13)14(17)18-11-5-8-12-6-1-2-7-12/h3-4,9-10,12H,1-2,5-8,11H2.
What are the key properties of 3-cyclopentylpropyl 2-oxopyridine-1-carboxylate?
3-cyclopentylpropyl 2-oxopyridine-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylpropyl 2-oxopyridine-1-carboxylate is sourced from PubChem (CID 131746477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).