1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxohexan-2-yl]pyrrole-2,5-dione

C14H16N2O5 — CID 22328218

IUPAC1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxohexan-2-yl]pyrrole-2,5-dione
SMILESCCCCC(C(=O)N1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C14H16N2O5/c1-2-3-4-9(15-10(17)5-6-11(15)18)14(21)16-12(19)7-8-13(16)20/h5-6,9H,2-4,7-8H2,1H3
InChIKeyWHTAQJLZSBXRQX-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.15
Rot. Bonds5

About 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxohexan-2-yl]pyrrole-2,5-dione

1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxohexan-2-yl]pyrrole-2,5-dione (PubChem CID 22328218) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxohexan-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxohexan-2-yl]pyrrole-2,5-dione
PubChem CID22328218
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxohexan-2-yl]pyrrole-2,5-dione
SMILESCCCCC(C(=O)N1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C14H16N2O5/c1-2-3-4-9(15-10(17)5-6-11(15)18)14(21)16-12(19)7-8-13(16)20/h5-6,9H,2-4,7-8H2,1H3
InChIKeyWHTAQJLZSBXRQX-UHFFFAOYSA-N
XLogP0.15
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxohexan-2-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxohexan-2-yl]pyrrole-2,5-dione (CID 22328218) is 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxohexan-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxohexan-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxohexan-2-yl]pyrrole-2,5-dione is CCCCC(C(=O)N1C(=O)CCC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxohexan-2-yl]pyrrole-2,5-dione?
The InChIKey is WHTAQJLZSBXRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-2-3-4-9(15-10(17)5-6-11(15)18)14(21)16-12(19)7-8-13(16)20/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxohexan-2-yl]pyrrole-2,5-dione?
1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxohexan-2-yl]pyrrole-2,5-dione has a molecular weight of 292.29 g/mol, XLogP of 0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxohexan-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 22328218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).