pyrrole-2,5-dione;hydrobromide

C4H4BrNO2 — CID 142305821

IUPACpyrrole-2,5-dione;hydrobromide
SMILESBr.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.BrH/c6-3-1-2-4(7)5-3;/h1-2H,(H,5,6,7);1H
InChIKeyGQEAKMWCKUPCFM-UHFFFAOYSA-N
MW177.98 g/mol
LogP-0.22
Rot. Bonds

About pyrrole-2,5-dione;hydrobromide

pyrrole-2,5-dione;hydrobromide (PubChem CID 142305821) has the molecular formula C4H4BrNO2 and a molecular weight of 177.98 g/mol. Its IUPAC name is pyrrole-2,5-dione;hydrobromide.

Molecular Properties

Compound Namepyrrole-2,5-dione;hydrobromide
PubChem CID142305821
Molecular FormulaC4H4BrNO2
Molecular Weight177.98 g/mol
Exact Mass176.94
IUPAC Namepyrrole-2,5-dione;hydrobromide
SMILESBr.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.BrH/c6-3-1-2-4(7)5-3;/h1-2H,(H,5,6,7);1H
InChIKeyGQEAKMWCKUPCFM-UHFFFAOYSA-N
XLogP-0.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.98
LogP ≤ 5-0.22
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 pyrrole-2,5-dione;hydrobromide?
The IUPAC name of pyrrole-2,5-dione;hydrobromide (CID 142305821) is pyrrole-2,5-dione;hydrobromide.
What is the SMILES notation for pyrrole-2,5-dione;hydrobromide?
The canonical SMILES for pyrrole-2,5-dione;hydrobromide is Br.O=C1C=CC(=O)N1.
What is the InChIKey of pyrrole-2,5-dione;hydrobromide?
The InChIKey is GQEAKMWCKUPCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.BrH/c6-3-1-2-4(7)5-3;/h1-2H,(H,5,6,7);1H.
What are the key properties of pyrrole-2,5-dione;hydrobromide?
pyrrole-2,5-dione;hydrobromide has a molecular weight of 177.98 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrole-2,5-dione;hydrobromide is sourced from PubChem (CID 142305821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).