6-(2,5-dioxo-3-propoxypyrrolidin-1-yl)hexanoyl fluoride

C13H20FNO4 — CID 145323329

IUPAC6-(2,5-dioxo-3-propoxypyrrolidin-1-yl)hexanoyl fluoride
SMILESCCCOC1CC(=O)N(CCCCCC(=O)F)C1=O
InChIInChI=1S/C13H20FNO4/c1-2-8-19-10-9-12(17)15(13(10)18)7-5-3-4-6-11(14)16/h10H,2-9H2,1H3
InChIKeyJBPQECGSQBXAKV-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.60
Rot. Bonds9

About 6-(2,5-dioxo-3-propoxypyrrolidin-1-yl)hexanoyl fluoride

6-(2,5-dioxo-3-propoxypyrrolidin-1-yl)hexanoyl fluoride (PubChem CID 145323329) has the molecular formula C13H20FNO4 and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-(2,5-dioxo-3-propoxypyrrolidin-1-yl)hexanoyl fluoride.

Molecular Properties

Compound Name6-(2,5-dioxo-3-propoxypyrrolidin-1-yl)hexanoyl fluoride
PubChem CID145323329
Molecular FormulaC13H20FNO4
Molecular Weight273.30 g/mol
Exact Mass273.14
IUPAC Name6-(2,5-dioxo-3-propoxypyrrolidin-1-yl)hexanoyl fluoride
SMILESCCCOC1CC(=O)N(CCCCCC(=O)F)C1=O
InChIInChI=1S/C13H20FNO4/c1-2-8-19-10-9-12(17)15(13(10)18)7-5-3-4-6-11(14)16/h10H,2-9H2,1H3
InChIKeyJBPQECGSQBXAKV-UHFFFAOYSA-N
XLogP1.60
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butanoyl-3-pentoxypyrrolidine-2,5-dione
CID 174711752
(1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate
CID 70110092
3-ethyl-1-nonylpyrrolidine-2,5-dione
CID 512846
1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784409
1-benzyl-3-pentoxypyrrolidine-2,5-dione
CID 67816194
10-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)decanoic acid
CID 18790434
6-[3-[2-(5-aminopentylamino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl fluoride
CID 154975677
1-octyl-3-(octylamino)pyrrolidine-2,5-dione
CID 512833
N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 163865588
3-methylsulfanyl-1-[10-[2-[2-(5-oxohexoxy)ethoxy]ethoxy]decyl]pyrrolidine-2,5-dione
CID 160685446
ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784408
6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
CID 162456959

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxo-3-propoxypyrrolidin-1-yl)hexanoyl fluoride?
The IUPAC name of 6-(2,5-dioxo-3-propoxypyrrolidin-1-yl)hexanoyl fluoride (CID 145323329) is 6-(2,5-dioxo-3-propoxypyrrolidin-1-yl)hexanoyl fluoride.
What is the SMILES notation for 6-(2,5-dioxo-3-propoxypyrrolidin-1-yl)hexanoyl fluoride?
The canonical SMILES for 6-(2,5-dioxo-3-propoxypyrrolidin-1-yl)hexanoyl fluoride is CCCOC1CC(=O)N(CCCCCC(=O)F)C1=O.
What is the InChIKey of 6-(2,5-dioxo-3-propoxypyrrolidin-1-yl)hexanoyl fluoride?
The InChIKey is JBPQECGSQBXAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO4/c1-2-8-19-10-9-12(17)15(13(10)18)7-5-3-4-6-11(14)16/h10H,2-9H2,1H3.
What are the key properties of 6-(2,5-dioxo-3-propoxypyrrolidin-1-yl)hexanoyl fluoride?
6-(2,5-dioxo-3-propoxypyrrolidin-1-yl)hexanoyl fluoride has a molecular weight of 273.30 g/mol, XLogP of 1.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxo-3-propoxypyrrolidin-1-yl)hexanoyl fluoride is sourced from PubChem (CID 145323329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).