1-[4-(2,5-dioxopyrrolidin-1-yl)butyl]pyrrolidine-2,5-dione

C12H16N2O4 — CID 10060753

IUPAC1-[4-(2,5-dioxopyrrolidin-1-yl)butyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCN1C(=O)CCC1=O
InChIInChI=1S/C12H16N2O4/c15-9-3-4-10(16)13(9)7-1-2-8-14-11(17)5-6-12(14)18/h1-8H2
InChIKeyOJORYXFEMNDENO-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.06
Rot. Bonds5

About 1-[4-(2,5-dioxopyrrolidin-1-yl)butyl]pyrrolidine-2,5-dione

1-[4-(2,5-dioxopyrrolidin-1-yl)butyl]pyrrolidine-2,5-dione (PubChem CID 10060753) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[4-(2,5-dioxopyrrolidin-1-yl)butyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(2,5-dioxopyrrolidin-1-yl)butyl]pyrrolidine-2,5-dione
PubChem CID10060753
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-[4-(2,5-dioxopyrrolidin-1-yl)butyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCN1C(=O)CCC1=O
InChIInChI=1S/C12H16N2O4/c15-9-3-4-10(16)13(9)7-1-2-8-14-11(17)5-6-12(14)18/h1-8H2
InChIKeyOJORYXFEMNDENO-UHFFFAOYSA-N
XLogP0.06
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.06
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-[4-(2,5-dioxopyrrolidin-1-yl)butyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(2,5-dioxopyrrolidin-1-yl)butyl]pyrrolidine-2,5-dione (CID 10060753) is 1-[4-(2,5-dioxopyrrolidin-1-yl)butyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(2,5-dioxopyrrolidin-1-yl)butyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(2,5-dioxopyrrolidin-1-yl)butyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCCCN1C(=O)CCC1=O.
What is the InChIKey of 1-[4-(2,5-dioxopyrrolidin-1-yl)butyl]pyrrolidine-2,5-dione?
The InChIKey is OJORYXFEMNDENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-9-3-4-10(16)13(9)7-1-2-8-14-11(17)5-6-12(14)18/h1-8H2.
What are the key properties of 1-[4-(2,5-dioxopyrrolidin-1-yl)butyl]pyrrolidine-2,5-dione?
1-[4-(2,5-dioxopyrrolidin-1-yl)butyl]pyrrolidine-2,5-dione has a molecular weight of 252.27 g/mol, XLogP of 0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dioxopyrrolidin-1-yl)butyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 10060753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).