bis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate

C14H14N2O8 — CID 10131928

IUPACbis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate
SMILESC=C(CCC(=O)ON1C(=O)CCC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H14N2O8/c1-8(14(22)24-16-11(19)5-6-12(16)20)2-7-13(21)23-15-9(17)3-4-10(15)18/h1-7H2
InChIKeyXXRGEAPFMZPUGC-UHFFFAOYSA-N
MW338.27 g/mol
LogP-0.46
Rot. Bonds6

About bis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate

bis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate (PubChem CID 10131928) has the molecular formula C14H14N2O8 and a molecular weight of 338.27 g/mol. Its IUPAC name is bis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate.

Molecular Properties

Compound Namebis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate
PubChem CID10131928
Molecular FormulaC14H14N2O8
Molecular Weight338.27 g/mol
Exact Mass338.08
IUPAC Namebis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate
SMILESC=C(CCC(=O)ON1C(=O)CCC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H14N2O8/c1-8(14(22)24-16-11(19)5-6-12(16)20)2-7-13(21)23-15-9(17)3-4-10(15)18/h1-7H2
InChIKeyXXRGEAPFMZPUGC-UHFFFAOYSA-N
XLogP-0.46
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(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
(2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate
CID 140966747
(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) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate
CID 158782914
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
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
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate?
The IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate (CID 10131928) is bis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate.
What is the SMILES notation for bis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate?
The canonical SMILES for bis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate is C=C(CCC(=O)ON1C(=O)CCC1=O)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of bis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate?
The InChIKey is XXRGEAPFMZPUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O8/c1-8(14(22)24-16-11(19)5-6-12(16)20)2-7-13(21)23-15-9(17)3-4-10(15)18/h1-7H2.
What are the key properties of bis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate?
bis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate has a molecular weight of 338.27 g/mol, XLogP of -0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate is sourced from PubChem (CID 10131928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).