1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione

C38H24N6O12 — CID 70372825

IUPAC1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1c1ccc(N2C(=O)C=CC2=O)cc1.O=C1C=CC(=O)N1c1cccc(N2C(=O)C=CC2=O)c1
InChIInChI=1S/2C14H8N2O4.C10H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20;17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20;13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h2*1-8H;1-4H,5-6H2
InChIKeyDALIYUPLAZCUEF-UHFFFAOYSA-N
MW756.64 g/mol
LogP-0.07
Rot. Bonds7

About 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione

1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione (PubChem CID 70372825) has the molecular formula C38H24N6O12 and a molecular weight of 756.64 g/mol. Its IUPAC name is 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
PubChem CID70372825
Molecular FormulaC38H24N6O12
Molecular Weight756.64 g/mol
Exact Mass756.15
IUPAC Name1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1c1ccc(N2C(=O)C=CC2=O)cc1.O=C1C=CC(=O)N1c1cccc(N2C(=O)C=CC2=O)c1
InChIInChI=1S/2C14H8N2O4.C10H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20;17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20;13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h2*1-8H;1-4H,5-6H2
InChIKeyDALIYUPLAZCUEF-UHFFFAOYSA-N
XLogP-0.07
TPSA224.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.64
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione (CID 70372825) is 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1c1ccc(N2C(=O)C=CC2=O)cc1.O=C1C=CC(=O)N1c1cccc(N2C(=O)C=CC2=O)c1.
What is the InChIKey of 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione?
The InChIKey is DALIYUPLAZCUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H8N2O4.C10H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20;17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20;13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h2*1-8H;1-4H,5-6H2.
What are the key properties of 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione?
1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione has a molecular weight of 756.64 g/mol, XLogP of -0.07, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 70372825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).