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

C18H24N2O8 — CID 3430836

IUPACbis(2,5-dioxopyrrolidin-1-yl) decanedioate
SMILESO=C(CCCCCCCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H24N2O8/c21-13-9-10-14(22)19(13)27-17(25)7-5-3-1-2-4-6-8-18(26)28-20-15(23)11-12-16(20)24/h1-12H2
InChIKeyXPKIVYVYXKPGBP-UHFFFAOYSA-N
MW396.40 g/mol
LogP1.32
Rot. Bonds11

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

bis(2,5-dioxopyrrolidin-1-yl) decanedioate (PubChem CID 3430836) has the molecular formula C18H24N2O8 and a molecular weight of 396.40 g/mol. Its IUPAC name is bis(2,5-dioxopyrrolidin-1-yl) decanedioate.

Molecular Properties

Compound Namebis(2,5-dioxopyrrolidin-1-yl) decanedioate
PubChem CID3430836
Molecular FormulaC18H24N2O8
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Namebis(2,5-dioxopyrrolidin-1-yl) decanedioate
SMILESO=C(CCCCCCCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H24N2O8/c21-13-9-10-14(22)19(13)27-17(25)7-5-3-1-2-4-6-8-18(26)28-20-15(23)11-12-16(20)24/h1-12H2
InChIKeyXPKIVYVYXKPGBP-UHFFFAOYSA-N
XLogP1.32
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) decanedioate?
The IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) decanedioate (CID 3430836) is bis(2,5-dioxopyrrolidin-1-yl) decanedioate.
What is the SMILES notation for bis(2,5-dioxopyrrolidin-1-yl) decanedioate?
The canonical SMILES for bis(2,5-dioxopyrrolidin-1-yl) decanedioate is O=C(CCCCCCCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of bis(2,5-dioxopyrrolidin-1-yl) decanedioate?
The InChIKey is XPKIVYVYXKPGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O8/c21-13-9-10-14(22)19(13)27-17(25)7-5-3-1-2-4-6-8-18(26)28-20-15(23)11-12-16(20)24/h1-12H2.
What are the key properties of bis(2,5-dioxopyrrolidin-1-yl) decanedioate?
bis(2,5-dioxopyrrolidin-1-yl) decanedioate has a molecular weight of 396.40 g/mol, XLogP of 1.32, 11 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) decanedioate is sourced from PubChem (CID 3430836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).