azane;bis(pyrrole-2,5-dione)

C8H12N4O4 — CID 19049642

IUPACazane;bis(pyrrole-2,5-dione)
SMILESN.N.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/2C4H3NO2.2H3N/c2*6-3-1-2-4(7)5-3;;/h2*1-2H,(H,5,6,7);2*1H3
InChIKeyPUPWISITDOSNPU-UHFFFAOYSA-N
MW228.21 g/mol
LogP-1.28
Rot. Bonds

About azane;bis(pyrrole-2,5-dione)

azane;bis(pyrrole-2,5-dione) (PubChem CID 19049642) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is azane;bis(pyrrole-2,5-dione).

Molecular Properties

Compound Nameazane;bis(pyrrole-2,5-dione)
PubChem CID19049642
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Nameazane;bis(pyrrole-2,5-dione)
SMILESN.N.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/2C4H3NO2.2H3N/c2*6-3-1-2-4(7)5-3;;/h2*1-2H,(H,5,6,7);2*1H3
InChIKeyPUPWISITDOSNPU-UHFFFAOYSA-N
XLogP-1.28
TPSA162.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;bis(pyrrole-2,5-dione)?
The IUPAC name of azane;bis(pyrrole-2,5-dione) (CID 19049642) is azane;bis(pyrrole-2,5-dione).
What is the SMILES notation for azane;bis(pyrrole-2,5-dione)?
The canonical SMILES for azane;bis(pyrrole-2,5-dione) is N.N.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.
What is the InChIKey of azane;bis(pyrrole-2,5-dione)?
The InChIKey is PUPWISITDOSNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H3NO2.2H3N/c2*6-3-1-2-4(7)5-3;;/h2*1-2H,(H,5,6,7);2*1H3.
What are the key properties of azane;bis(pyrrole-2,5-dione)?
azane;bis(pyrrole-2,5-dione) has a molecular weight of 228.21 g/mol, XLogP of -1.28, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(pyrrole-2,5-dione) is sourced from PubChem (CID 19049642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).