(2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate

C19H22N2O10 — CID 158782914

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate
SMILESC=C(CCC(=O)OCC(=O)CCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H22N2O10/c1-12(30-20-14(23)6-7-15(20)24)5-10-18(27)29-11-13(22)3-2-4-19(28)31-21-16(25)8-9-17(21)26/h1-11H2
InChIKeyIRHSNYWDNJMHJL-UHFFFAOYSA-N
MW438.39 g/mol
LogP0.25
Rot. Bonds12

About (2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate

(2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate (PubChem CID 158782914) has the molecular formula C19H22N2O10 and a molecular weight of 438.39 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate
PubChem CID158782914
Molecular FormulaC19H22N2O10
Molecular Weight438.39 g/mol
Exact Mass438.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate
SMILESC=C(CCC(=O)OCC(=O)CCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H22N2O10/c1-12(30-20-14(23)6-7-15(20)24)5-10-18(27)29-11-13(22)3-2-4-19(28)31-21-16(25)8-9-17(21)26/h1-11H2
InChIKeyIRHSNYWDNJMHJL-UHFFFAOYSA-N
XLogP0.25
TPSA153.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 6-[2-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]ethoxy]-5-oxohexanoate
CID 163776671
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate
CID 87746773
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
(2,5-dioxopyrrolidin-1-yl) 6-bromo-5-oxohexanoate
CID 149046633
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
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
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
(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
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate (CID 158782914) is (2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate is C=C(CCC(=O)OCC(=O)CCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate?
The InChIKey is IRHSNYWDNJMHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O10/c1-12(30-20-14(23)6-7-15(20)24)5-10-18(27)29-11-13(22)3-2-4-19(28)31-21-16(25)8-9-17(21)26/h1-11H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate has a molecular weight of 438.39 g/mol, XLogP of 0.25, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate is sourced from PubChem (CID 158782914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).