bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate

C18H20N2O10 — CID 87362127

IUPACbis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
SMILESO=C(CCC(=O)CCC(=O)ON1C(=O)CCC1=O)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H20N2O10/c21-11(3-9-17(27)29-19-13(23)5-6-14(19)24)1-2-12(22)4-10-18(28)30-20-15(25)7-8-16(20)26/h1-10H2
InChIKeyTWVNDDLZLIHRGP-UHFFFAOYSA-N
MW424.36 g/mol
LogP-0.32
Rot. Bonds11

About bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate

bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate (PubChem CID 87362127) has the molecular formula C18H20N2O10 and a molecular weight of 424.36 g/mol. Its IUPAC name is bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate.

Molecular Properties

Compound Namebis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
PubChem CID87362127
Molecular FormulaC18H20N2O10
Molecular Weight424.36 g/mol
Exact Mass424.11
IUPAC Namebis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
SMILESO=C(CCC(=O)CCC(=O)ON1C(=O)CCC1=O)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H20N2O10/c21-11(3-9-17(27)29-19-13(23)5-6-14(19)24)1-2-12(22)4-10-18(28)30-20-15(25)7-8-16(20)26/h1-10H2
InChIKeyTWVNDDLZLIHRGP-UHFFFAOYSA-N
XLogP-0.32
TPSA161.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 9-[3-[9-(2,5-dioxopyrrolidin-1-yl)oxy-3,6,9-trioxononoxy]propoxy]-4,7-dioxononanoate
CID 158122544
(2,5-dioxopyrrolidin-1-yl) 6-bromo-5-oxohexanoate
CID 149046633
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]propanoate
CID 13055590
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
bis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate
CID 10131928
(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
CID 88947162
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;methane
CID 161065526
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate?
The IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate (CID 87362127) is bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate.
What is the SMILES notation for bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate?
The canonical SMILES for bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate is O=C(CCC(=O)CCC(=O)ON1C(=O)CCC1=O)CCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate?
The InChIKey is TWVNDDLZLIHRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O10/c21-11(3-9-17(27)29-19-13(23)5-6-14(19)24)1-2-12(22)4-10-18(28)30-20-15(25)7-8-16(20)26/h1-10H2.
What are the key properties of bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate?
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate has a molecular weight of 424.36 g/mol, XLogP of -0.32, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate is sourced from PubChem (CID 87362127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).