5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate

C12H17NO6 — CID 88545010

IUPAC5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
SMILESCCCOC(=O)CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H17NO6/c1-2-8-18-11(16)4-3-5-12(17)19-13-9(14)6-7-10(13)15/h2-8H2,1H3
InChIKeyZQYXYXYRLASMMS-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.72
Rot. Bonds7

About 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate

5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate (PubChem CID 88545010) has the molecular formula C12H17NO6 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate.

Molecular Properties

Compound Name5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
PubChem CID88545010
Molecular FormulaC12H17NO6
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
SMILESCCCOC(=O)CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H17NO6/c1-2-8-18-11(16)4-3-5-12(17)19-13-9(14)6-7-10(13)15/h2-8H2,1H3
InChIKeyZQYXYXYRLASMMS-UHFFFAOYSA-N
XLogP0.72
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[2-[2-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]oxyethoxy]ethoxy]ethyl] pentanedioate
CID 162161895
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
CID 174881111
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[3-[3-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxypropoxy]propyl] butanedioate
CID 160965855
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(3-ethoxypropoxy)ethyl] butanedioate
CID 58559852
tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium
CID 102579235
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate
CID 162785232

Frequently Asked Questions

What is the IUPAC name of 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate?
The IUPAC name of 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate (CID 88545010) is 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate.
What is the SMILES notation for 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate?
The canonical SMILES for 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate is CCCOC(=O)CCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate?
The InChIKey is ZQYXYXYRLASMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6/c1-2-8-18-11(16)4-3-5-12(17)19-13-9(14)6-7-10(13)15/h2-8H2,1H3.
What are the key properties of 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate?
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate has a molecular weight of 271.27 g/mol, XLogP of 0.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate is sourced from PubChem (CID 88545010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).