1-[(2,5-dioxopyrrol-1-yl)amino]pyrrole-2,5-dione

C8H5N3O4 — CID 57179242

IUPAC1-[(2,5-dioxopyrrol-1-yl)amino]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1NN1C(=O)C=CC1=O
InChIInChI=1S/C8H5N3O4/c12-5-1-2-6(13)10(5)9-11-7(14)3-4-8(11)15/h1-4,9H
InChIKeyFIWXLGIQSDJUTQ-UHFFFAOYSA-N
MW207.15 g/mol
LogP-1.74
Rot. Bonds2

About 1-[(2,5-dioxopyrrol-1-yl)amino]pyrrole-2,5-dione

1-[(2,5-dioxopyrrol-1-yl)amino]pyrrole-2,5-dione (PubChem CID 57179242) has the molecular formula C8H5N3O4 and a molecular weight of 207.15 g/mol. Its IUPAC name is 1-[(2,5-dioxopyrrol-1-yl)amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2,5-dioxopyrrol-1-yl)amino]pyrrole-2,5-dione
PubChem CID57179242
Molecular FormulaC8H5N3O4
Molecular Weight207.15 g/mol
Exact Mass207.03
IUPAC Name1-[(2,5-dioxopyrrol-1-yl)amino]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1NN1C(=O)C=CC1=O
InChIInChI=1S/C8H5N3O4/c12-5-1-2-6(13)10(5)9-11-7(14)3-4-8(11)15/h1-4,9H
InChIKeyFIWXLGIQSDJUTQ-UHFFFAOYSA-N
XLogP-1.74
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dioxopyrrol-1-yl)amino]pyrrole-2,5-dione?
The IUPAC name of 1-[(2,5-dioxopyrrol-1-yl)amino]pyrrole-2,5-dione (CID 57179242) is 1-[(2,5-dioxopyrrol-1-yl)amino]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(2,5-dioxopyrrol-1-yl)amino]pyrrole-2,5-dione?
The canonical SMILES for 1-[(2,5-dioxopyrrol-1-yl)amino]pyrrole-2,5-dione is O=C1C=CC(=O)N1NN1C(=O)C=CC1=O.
What is the InChIKey of 1-[(2,5-dioxopyrrol-1-yl)amino]pyrrole-2,5-dione?
The InChIKey is FIWXLGIQSDJUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O4/c12-5-1-2-6(13)10(5)9-11-7(14)3-4-8(11)15/h1-4,9H.
What are the key properties of 1-[(2,5-dioxopyrrol-1-yl)amino]pyrrole-2,5-dione?
1-[(2,5-dioxopyrrol-1-yl)amino]pyrrole-2,5-dione has a molecular weight of 207.15 g/mol, XLogP of -1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dioxopyrrol-1-yl)amino]pyrrole-2,5-dione is sourced from PubChem (CID 57179242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).