azane;pyrrole-2,5-dione

C4H6N2O2 — CID 22315347

IUPACazane;pyrrole-2,5-dione
SMILESN.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.H3N/c6-3-1-2-4(7)5-3;/h1-2H,(H,5,6,7);1H3
InChIKeyNWXMYMNSBMDVBT-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.64
Rot. Bonds

About azane;pyrrole-2,5-dione

azane;pyrrole-2,5-dione (PubChem CID 22315347) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is azane;pyrrole-2,5-dione.

Molecular Properties

Compound Nameazane;pyrrole-2,5-dione
PubChem CID22315347
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Nameazane;pyrrole-2,5-dione
SMILESN.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.H3N/c6-3-1-2-4(7)5-3;/h1-2H,(H,5,6,7);1H3
InChIKeyNWXMYMNSBMDVBT-UHFFFAOYSA-N
XLogP-0.64
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;pyrrole-2,5-dione?
The IUPAC name of azane;pyrrole-2,5-dione (CID 22315347) is azane;pyrrole-2,5-dione.
What is the SMILES notation for azane;pyrrole-2,5-dione?
The canonical SMILES for azane;pyrrole-2,5-dione is N.O=C1C=CC(=O)N1.
What is the InChIKey of azane;pyrrole-2,5-dione?
The InChIKey is NWXMYMNSBMDVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.H3N/c6-3-1-2-4(7)5-3;/h1-2H,(H,5,6,7);1H3.
What are the key properties of azane;pyrrole-2,5-dione?
azane;pyrrole-2,5-dione has a molecular weight of 114.10 g/mol, XLogP of -0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;pyrrole-2,5-dione is sourced from PubChem (CID 22315347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).