hydron;pyrrole-2,5-dione;chloride

C4H4ClNO2 — CID 66670805

IUPAChydron;pyrrole-2,5-dione;chloride
SMILESO=C1C=CC(=O)N1.[Cl-].[H+]
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-3.68
Rot. Bonds

About hydron;pyrrole-2,5-dione;chloride

hydron;pyrrole-2,5-dione;chloride (PubChem CID 66670805) has the molecular formula C4H4ClNO2 and a molecular weight of 133.53 g/mol. Its IUPAC name is hydron;pyrrole-2,5-dione;chloride.

Molecular Properties

Compound Namehydron;pyrrole-2,5-dione;chloride
PubChem CID66670805
Molecular FormulaC4H4ClNO2
Molecular Weight133.53 g/mol
Exact Mass132.99
IUPAC Namehydron;pyrrole-2,5-dione;chloride
SMILESO=C1C=CC(=O)N1.[Cl-].[H+]
InChIInChI=1S/C4H3NO2.ClH/c6-3-1-2-4(7)5-3;/h1-2H,(H,5,6,7);1H
InChIKeyGXBDUKNALWQPMX-UHFFFAOYSA-N
XLogP-3.68
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 ≤ 5-3.68
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;chloride?
The IUPAC name of hydron;pyrrole-2,5-dione;chloride (CID 66670805) is hydron;pyrrole-2,5-dione;chloride.
What is the SMILES notation for hydron;pyrrole-2,5-dione;chloride?
The canonical SMILES for hydron;pyrrole-2,5-dione;chloride is O=C1C=CC(=O)N1.[Cl-].[H+].
What is the InChIKey of hydron;pyrrole-2,5-dione;chloride?
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 hydron;pyrrole-2,5-dione;chloride?
hydron;pyrrole-2,5-dione;chloride has a molecular weight of 133.53 g/mol, XLogP of -3.68, 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;chloride is sourced from PubChem (CID 66670805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).