(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate

C13H19NO5 — CID 88976208

IUPAC(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
SMILESCC(=O)CCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H19NO5/c1-10(15)6-4-2-3-5-7-13(18)19-14-11(16)8-9-12(14)17/h2-9H2,1H3
InChIKeyAMIRCKWZMUULOA-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.52
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) 8-oxononanoate

(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate (PubChem CID 88976208) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 8-oxononanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
PubChem CID88976208
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
SMILESCC(=O)CCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H19NO5/c1-10(15)6-4-2-3-5-7-13(18)19-14-11(16)8-9-12(14)17/h2-9H2,1H3
InChIKeyAMIRCKWZMUULOA-UHFFFAOYSA-N
XLogP1.52
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 8-oxononanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]butanoate;5-(3-oxobutoxy)pentan-2-one
CID 167636990
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451
1-O-tert-butyl 19-O-(2,5-dioxopyrrolidin-1-yl) nonadecanedioate
CID 133081009
1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate
CID 87253097
[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-trimethylazanium bromide
CID 87129877
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 8-oxononanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 8-oxononanoate (CID 88976208) is (2,5-dioxopyrrolidin-1-yl) 8-oxononanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 8-oxononanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 8-oxononanoate is CC(=O)CCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 8-oxononanoate?
The InChIKey is AMIRCKWZMUULOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-10(15)6-4-2-3-5-7-13(18)19-14-11(16)8-9-12(14)17/h2-9H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 8-oxononanoate?
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate has a molecular weight of 269.30 g/mol, XLogP of 1.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 8-oxononanoate is sourced from PubChem (CID 88976208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).