(2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate

C14H16N2O6 — CID 89096080

IUPAC(2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate
SMILESCCCCOn1c(C(=O)ON2C(=O)CCC2=O)cccc1=O
InChIInChI=1S/C14H16N2O6/c1-2-3-9-21-15-10(5-4-6-11(15)17)14(20)22-16-12(18)7-8-13(16)19/h4-6H,2-3,7-9H2,1H3
InChIKeyFIBOURIRCBVSRH-UHFFFAOYSA-N
MW308.29 g/mol
LogP0.30
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate

(2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate (PubChem CID 89096080) has the molecular formula C14H16N2O6 and a molecular weight of 308.29 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate
PubChem CID89096080
Molecular FormulaC14H16N2O6
Molecular Weight308.29 g/mol
Exact Mass308.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate
SMILESCCCCOn1c(C(=O)ON2C(=O)CCC2=O)cccc1=O
InChIInChI=1S/C14H16N2O6/c1-2-3-9-21-15-10(5-4-6-11(15)17)14(20)22-16-12(18)7-8-13(16)19/h4-6H,2-3,7-9H2,1H3
InChIKeyFIBOURIRCBVSRH-UHFFFAOYSA-N
XLogP0.30
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-butoxy-6-oxopyridine-2-carbonyl chloride
CID 88864823
(2,5-dioxopyrrolidin-1-yl) 4-(4-heptoxyphenyl)benzoate
CID 19969049
dimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate
CID 155657064
(2,5-dioxopyrrolidin-1-yl) 4-ethylbenzoate;ethane
CID 172600342
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
(2,5-dioxopyrrolidin-1-yl) 4-[(3-ethylphenyl)methyl]benzoate
CID 138460094
1-O-[(1R)-2-butoxy-2-oxo-1-phenylethyl] 4-O-(2,5-dioxopyrrolidin-1-yl) (2R,3R)-2,3-diacetyloxybutanedioate
CID 129184066
(2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione
CID 174768072
(2,5-dioxopyrrolidin-1-yl) 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 91622627
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylhexanoate
CID 134576769
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate (CID 89096080) is (2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate is CCCCOn1c(C(=O)ON2C(=O)CCC2=O)cccc1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate?
The InChIKey is FIBOURIRCBVSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6/c1-2-3-9-21-15-10(5-4-6-11(15)17)14(20)22-16-12(18)7-8-13(16)19/h4-6H,2-3,7-9H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate has a molecular weight of 308.29 g/mol, XLogP of 0.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate is sourced from PubChem (CID 89096080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).