1-(2,5-dioxohexyl)pyrrole-2,5-dione

C10H11NO4 — CID 21284891

IUPAC1-(2,5-dioxohexyl)pyrrole-2,5-dione
SMILESCC(=O)CCC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C10H11NO4/c1-7(12)2-3-8(13)6-11-9(14)4-5-10(11)15/h4-5H,2-3,6H2,1H3
InChIKeyLUXWLDHKDPCCAS-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.15
Rot. Bonds5

About 1-(2,5-dioxohexyl)pyrrole-2,5-dione

1-(2,5-dioxohexyl)pyrrole-2,5-dione (PubChem CID 21284891) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-(2,5-dioxohexyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dioxohexyl)pyrrole-2,5-dione
PubChem CID21284891
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name1-(2,5-dioxohexyl)pyrrole-2,5-dione
SMILESCC(=O)CCC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C10H11NO4/c1-7(12)2-3-8(13)6-11-9(14)4-5-10(11)15/h4-5H,2-3,6H2,1H3
InChIKeyLUXWLDHKDPCCAS-UHFFFAOYSA-N
XLogP-0.15
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,5-dioxohexyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxohexyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,5-dioxohexyl)pyrrole-2,5-dione (CID 21284891) is 1-(2,5-dioxohexyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,5-dioxohexyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,5-dioxohexyl)pyrrole-2,5-dione is CC(=O)CCC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-(2,5-dioxohexyl)pyrrole-2,5-dione?
The InChIKey is LUXWLDHKDPCCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-7(12)2-3-8(13)6-11-9(14)4-5-10(11)15/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-(2,5-dioxohexyl)pyrrole-2,5-dione?
1-(2,5-dioxohexyl)pyrrole-2,5-dione has a molecular weight of 209.20 g/mol, XLogP of -0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxohexyl)pyrrole-2,5-dione is sourced from PubChem (CID 21284891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).