3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione

C11H10N2O4 — CID 143295220

IUPAC3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione
SMILESCC(C)(C1=CC(=O)NC1=O)C1=CC(=O)NC1=O
InChIInChI=1S/C11H10N2O4/c1-11(2,5-3-7(14)12-9(5)16)6-4-8(15)13-10(6)17/h3-4H,1-2H3,(H,12,14,16)(H,13,15,17)
InChIKeyNLWBUHPQVXVOCP-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.82
Rot. Bonds2

About 3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione

3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione (PubChem CID 143295220) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione
PubChem CID143295220
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione
SMILESCC(C)(C1=CC(=O)NC1=O)C1=CC(=O)NC1=O
InChIInChI=1S/C11H10N2O4/c1-11(2,5-3-7(14)12-9(5)16)6-4-8(15)13-10(6)17/h3-4H,1-2H3,(H,12,14,16)(H,13,15,17)
InChIKeyNLWBUHPQVXVOCP-UHFFFAOYSA-N
XLogP-0.82
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione?
The IUPAC name of 3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione (CID 143295220) is 3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione is CC(C)(C1=CC(=O)NC1=O)C1=CC(=O)NC1=O.
What is the InChIKey of 3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione?
The InChIKey is NLWBUHPQVXVOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-11(2,5-3-7(14)12-9(5)16)6-4-8(15)13-10(6)17/h3-4H,1-2H3,(H,12,14,16)(H,13,15,17).
What are the key properties of 3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione?
3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione has a molecular weight of 234.21 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dioxopyrrol-3-yl)propan-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 143295220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).