1-[1-(2,5-dioxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione

C14H20N2O4 — CID 22096657

IUPAC1-[1-(2,5-dioxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione
SMILESCCCCCC(N1C(=O)CCC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C14H20N2O4/c1-2-3-4-5-10(15-11(17)6-7-12(15)18)16-13(19)8-9-14(16)20/h10H,2-9H2,1H3
InChIKeyUYOUGRXVHQNLON-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.19
Rot. Bonds6

About 1-[1-(2,5-dioxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione

1-[1-(2,5-dioxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione (PubChem CID 22096657) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[1-(2,5-dioxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(2,5-dioxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione
PubChem CID22096657
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[1-(2,5-dioxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione
SMILESCCCCCC(N1C(=O)CCC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C14H20N2O4/c1-2-3-4-5-10(15-11(17)6-7-12(15)18)16-13(19)8-9-14(16)20/h10H,2-9H2,1H3
InChIKeyUYOUGRXVHQNLON-UHFFFAOYSA-N
XLogP1.19
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[1-(2,5-dioxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(2,5-dioxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione (CID 22096657) is 1-[1-(2,5-dioxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(2,5-dioxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(2,5-dioxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione is CCCCCC(N1C(=O)CCC1=O)N1C(=O)CCC1=O.
What is the InChIKey of 1-[1-(2,5-dioxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione?
The InChIKey is UYOUGRXVHQNLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-3-4-5-10(15-11(17)6-7-12(15)18)16-13(19)8-9-14(16)20/h10H,2-9H2,1H3.
What are the key properties of 1-[1-(2,5-dioxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione?
1-[1-(2,5-dioxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione has a molecular weight of 280.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dioxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 22096657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).