1-O-(2,5-dioxopyrrolidin-1-yl) 6-O-(2,5-dioxopyrrol-1-yl) hexanedioate

C14H14N2O8 — CID 122596975

IUPAC1-O-(2,5-dioxopyrrolidin-1-yl) 6-O-(2,5-dioxopyrrol-1-yl) hexanedioate
SMILESO=C(CCCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)C=CC1=O
InChIInChI=1S/C14H14N2O8/c17-9-5-6-10(18)15(9)23-13(21)3-1-2-4-14(22)24-16-11(19)7-8-12(16)20/h5-6H,1-4,7-8H2
InChIKeyUGZBBMNLOIIJBT-UHFFFAOYSA-N
MW338.27 g/mol
LogP-0.46
Rot. Bonds7

About 1-O-(2,5-dioxopyrrolidin-1-yl) 6-O-(2,5-dioxopyrrol-1-yl) hexanedioate

1-O-(2,5-dioxopyrrolidin-1-yl) 6-O-(2,5-dioxopyrrol-1-yl) hexanedioate (PubChem CID 122596975) has the molecular formula C14H14N2O8 and a molecular weight of 338.27 g/mol. Its IUPAC name is 1-O-(2,5-dioxopyrrolidin-1-yl) 6-O-(2,5-dioxopyrrol-1-yl) hexanedioate.

Molecular Properties

Compound Name1-O-(2,5-dioxopyrrolidin-1-yl) 6-O-(2,5-dioxopyrrol-1-yl) hexanedioate
PubChem CID122596975
Molecular FormulaC14H14N2O8
Molecular Weight338.27 g/mol
Exact Mass338.08
IUPAC Name1-O-(2,5-dioxopyrrolidin-1-yl) 6-O-(2,5-dioxopyrrol-1-yl) hexanedioate
SMILESO=C(CCCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)C=CC1=O
InChIInChI=1S/C14H14N2O8/c17-9-5-6-10(18)15(9)23-13(21)3-1-2-4-14(22)24-16-11(19)7-8-12(16)20/h5-6H,1-4,7-8H2
InChIKeyUGZBBMNLOIIJBT-UHFFFAOYSA-N
XLogP-0.46
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
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': '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 1-O-(2,5-dioxopyrrolidin-1-yl) 6-O-(2,5-dioxopyrrol-1-yl) hexanedioate?
The IUPAC name of 1-O-(2,5-dioxopyrrolidin-1-yl) 6-O-(2,5-dioxopyrrol-1-yl) hexanedioate (CID 122596975) is 1-O-(2,5-dioxopyrrolidin-1-yl) 6-O-(2,5-dioxopyrrol-1-yl) hexanedioate.
What is the SMILES notation for 1-O-(2,5-dioxopyrrolidin-1-yl) 6-O-(2,5-dioxopyrrol-1-yl) hexanedioate?
The canonical SMILES for 1-O-(2,5-dioxopyrrolidin-1-yl) 6-O-(2,5-dioxopyrrol-1-yl) hexanedioate is O=C(CCCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)C=CC1=O.
What is the InChIKey of 1-O-(2,5-dioxopyrrolidin-1-yl) 6-O-(2,5-dioxopyrrol-1-yl) hexanedioate?
The InChIKey is UGZBBMNLOIIJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O8/c17-9-5-6-10(18)15(9)23-13(21)3-1-2-4-14(22)24-16-11(19)7-8-12(16)20/h5-6H,1-4,7-8H2.
What are the key properties of 1-O-(2,5-dioxopyrrolidin-1-yl) 6-O-(2,5-dioxopyrrol-1-yl) hexanedioate?
1-O-(2,5-dioxopyrrolidin-1-yl) 6-O-(2,5-dioxopyrrol-1-yl) hexanedioate has a molecular weight of 338.27 g/mol, XLogP of -0.46, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2,5-dioxopyrrolidin-1-yl) 6-O-(2,5-dioxopyrrol-1-yl) hexanedioate is sourced from PubChem (CID 122596975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).