hydron;pyrrole-2,5-dione

C4H4NO2+ — CID 19973391

IUPAChydron;pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1.[H+]
InChIInChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)/p+1
InChIKeyPEEHTFAAVSWFBL-UHFFFAOYSA-O
MW98.08 g/mol
LogP-0.69
Rot. Bonds

About hydron;pyrrole-2,5-dione

hydron;pyrrole-2,5-dione (PubChem CID 19973391) has the molecular formula C4H4NO2+ and a molecular weight of 98.08 g/mol. Its IUPAC name is hydron;pyrrole-2,5-dione.

Molecular Properties

Compound Namehydron;pyrrole-2,5-dione
PubChem CID19973391
Molecular FormulaC4H4NO2+
Molecular Weight98.08 g/mol
Exact Mass98.02
IUPAC Namehydron;pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1.[H+]
InChIInChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)/p+1
InChIKeyPEEHTFAAVSWFBL-UHFFFAOYSA-O
XLogP-0.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.08
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydron;pyrrole-2,5-dione?
The IUPAC name of hydron;pyrrole-2,5-dione (CID 19973391) is hydron;pyrrole-2,5-dione.
What is the SMILES notation for hydron;pyrrole-2,5-dione?
The canonical SMILES for hydron;pyrrole-2,5-dione is O=C1C=CC(=O)N1.[H+].
What is the InChIKey of hydron;pyrrole-2,5-dione?
The InChIKey is PEEHTFAAVSWFBL-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)/p+1.
What are the key properties of hydron;pyrrole-2,5-dione?
hydron;pyrrole-2,5-dione has a molecular weight of 98.08 g/mol, XLogP of -0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;pyrrole-2,5-dione is sourced from PubChem (CID 19973391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).