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

C11H10N2O4 — CID 22364737

IUPAC3-[3-(2,5-dioxopyrrol-3-yl)propyl]pyrrole-2,5-dione
SMILESO=C1C=C(CCCC2=CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C11H10N2O4/c14-8-4-6(10(16)12-8)2-1-3-7-5-9(15)13-11(7)17/h4-5H,1-3H2,(H,12,14,16)(H,13,15,17)
InChIKeyHGDCWYPKCNIOJU-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.68
Rot. Bonds4

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

3-[3-(2,5-dioxopyrrol-3-yl)propyl]pyrrole-2,5-dione (PubChem CID 22364737) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-[3-(2,5-dioxopyrrol-3-yl)propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[3-(2,5-dioxopyrrol-3-yl)propyl]pyrrole-2,5-dione
PubChem CID22364737
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name3-[3-(2,5-dioxopyrrol-3-yl)propyl]pyrrole-2,5-dione
SMILESO=C1C=C(CCCC2=CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C11H10N2O4/c14-8-4-6(10(16)12-8)2-1-3-7-5-9(15)13-11(7)17/h4-5H,1-3H2,(H,12,14,16)(H,13,15,17)
InChIKeyHGDCWYPKCNIOJU-UHFFFAOYSA-N
XLogP-0.68
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.68
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-[3-(2,5-dioxopyrrol-3-yl)propyl]pyrrole-2,5-dione?
The IUPAC name of 3-[3-(2,5-dioxopyrrol-3-yl)propyl]pyrrole-2,5-dione (CID 22364737) is 3-[3-(2,5-dioxopyrrol-3-yl)propyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[3-(2,5-dioxopyrrol-3-yl)propyl]pyrrole-2,5-dione?
The canonical SMILES for 3-[3-(2,5-dioxopyrrol-3-yl)propyl]pyrrole-2,5-dione is O=C1C=C(CCCC2=CC(=O)NC2=O)C(=O)N1.
What is the InChIKey of 3-[3-(2,5-dioxopyrrol-3-yl)propyl]pyrrole-2,5-dione?
The InChIKey is HGDCWYPKCNIOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-8-4-6(10(16)12-8)2-1-3-7-5-9(15)13-11(7)17/h4-5H,1-3H2,(H,12,14,16)(H,13,15,17).
What are the key properties of 3-[3-(2,5-dioxopyrrol-3-yl)propyl]pyrrole-2,5-dione?
3-[3-(2,5-dioxopyrrol-3-yl)propyl]pyrrole-2,5-dione has a molecular weight of 234.21 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,5-dioxopyrrol-3-yl)propyl]pyrrole-2,5-dione is sourced from PubChem (CID 22364737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).