pyrrole-2,5-dione;hydrochloride

C4H4ClNO2 — CID 18790454

IUPACpyrrole-2,5-dione;hydrochloride
SMILESCl.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.ClH/c6-3-1-2-4(7)5-3;/h1-2H,(H,5,6,7);1H
InChIKeyGXBDUKNALWQPMX-UHFFFAOYSA-N
MW133.53 g/mol
LogP-0.38
Rot. Bonds

About pyrrole-2,5-dione;hydrochloride

pyrrole-2,5-dione;hydrochloride (PubChem CID 18790454) has the molecular formula C4H4ClNO2 and a molecular weight of 133.53 g/mol. Its IUPAC name is pyrrole-2,5-dione;hydrochloride.

Molecular Properties

Compound Namepyrrole-2,5-dione;hydrochloride
PubChem CID18790454
Molecular FormulaC4H4ClNO2
Molecular Weight133.53 g/mol
Exact Mass132.99
IUPAC Namepyrrole-2,5-dione;hydrochloride
SMILESCl.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.ClH/c6-3-1-2-4(7)5-3;/h1-2H,(H,5,6,7);1H
InChIKeyGXBDUKNALWQPMX-UHFFFAOYSA-N
XLogP-0.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.53
LogP ≤ 5-0.38
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;hydrochloride?
The IUPAC name of pyrrole-2,5-dione;hydrochloride (CID 18790454) is pyrrole-2,5-dione;hydrochloride.
What is the SMILES notation for pyrrole-2,5-dione;hydrochloride?
The canonical SMILES for pyrrole-2,5-dione;hydrochloride is Cl.O=C1C=CC(=O)N1.
What is the InChIKey of pyrrole-2,5-dione;hydrochloride?
The InChIKey is GXBDUKNALWQPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.ClH/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;hydrochloride?
pyrrole-2,5-dione;hydrochloride has a molecular weight of 133.53 g/mol, XLogP of -0.38, 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;hydrochloride is sourced from PubChem (CID 18790454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).