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

C8H9N3O4 — CID 67255756

IUPACazane;bis(pyrrole-2,5-dione)
SMILESN.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/2C4H3NO2.H3N/c2*6-3-1-2-4(7)5-3;/h2*1-2H,(H,5,6,7);1H3
InChIKeyNKLUPKRFSHTTDB-UHFFFAOYSA-N
MW211.18 g/mol
LogP-1.44
Rot. Bonds

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

azane;bis(pyrrole-2,5-dione) (PubChem CID 67255756) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is azane;bis(pyrrole-2,5-dione).

Molecular Properties

Compound Nameazane;bis(pyrrole-2,5-dione)
PubChem CID67255756
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Nameazane;bis(pyrrole-2,5-dione)
SMILESN.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/2C4H3NO2.H3N/c2*6-3-1-2-4(7)5-3;/h2*1-2H,(H,5,6,7);1H3
InChIKeyNKLUPKRFSHTTDB-UHFFFAOYSA-N
XLogP-1.44
TPSA127.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
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 azane;bis(pyrrole-2,5-dione)?
The IUPAC name of azane;bis(pyrrole-2,5-dione) (CID 67255756) 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.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.
What is the InChIKey of azane;bis(pyrrole-2,5-dione)?
The InChIKey is NKLUPKRFSHTTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H3NO2.H3N/c2*6-3-1-2-4(7)5-3;/h2*1-2H,(H,5,6,7);1H3.
What are the key properties of azane;bis(pyrrole-2,5-dione)?
azane;bis(pyrrole-2,5-dione) has a molecular weight of 211.18 g/mol, XLogP of -1.44, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(pyrrole-2,5-dione) is sourced from PubChem (CID 67255756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).