1-(2,6-dibromo-4-propylphenyl)pyrrole-2,5-dione

C13H11Br2NO2 — CID 159715556

IUPAC1-(2,6-dibromo-4-propylphenyl)pyrrole-2,5-dione
SMILESCCCc1cc(Br)c(N2C(=O)C=CC2=O)c(Br)c1
InChIInChI=1S/C13H11Br2NO2/c1-2-3-8-6-9(14)13(10(15)7-8)16-11(17)4-5-12(16)18/h4-7H,2-3H2,1H3
InChIKeyMZJOOCPRSTVKHI-UHFFFAOYSA-N
MW373.04 g/mol
LogP3.59
Rot. Bonds3

About 1-(2,6-dibromo-4-propylphenyl)pyrrole-2,5-dione

1-(2,6-dibromo-4-propylphenyl)pyrrole-2,5-dione (PubChem CID 159715556) has the molecular formula C13H11Br2NO2 and a molecular weight of 373.04 g/mol. Its IUPAC name is 1-(2,6-dibromo-4-propylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,6-dibromo-4-propylphenyl)pyrrole-2,5-dione
PubChem CID159715556
Molecular FormulaC13H11Br2NO2
Molecular Weight373.04 g/mol
Exact Mass370.92
IUPAC Name1-(2,6-dibromo-4-propylphenyl)pyrrole-2,5-dione
SMILESCCCc1cc(Br)c(N2C(=O)C=CC2=O)c(Br)c1
InChIInChI=1S/C13H11Br2NO2/c1-2-3-8-6-9(14)13(10(15)7-8)16-11(17)4-5-12(16)18/h4-7H,2-3H2,1H3
InChIKeyMZJOOCPRSTVKHI-UHFFFAOYSA-N
XLogP3.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.04
LogP ≤ 53.59
H-Bond Donors ≤ 50
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 1-(2,6-dibromo-4-propylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,6-dibromo-4-propylphenyl)pyrrole-2,5-dione (CID 159715556) is 1-(2,6-dibromo-4-propylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,6-dibromo-4-propylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,6-dibromo-4-propylphenyl)pyrrole-2,5-dione is CCCc1cc(Br)c(N2C(=O)C=CC2=O)c(Br)c1.
What is the InChIKey of 1-(2,6-dibromo-4-propylphenyl)pyrrole-2,5-dione?
The InChIKey is MZJOOCPRSTVKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2/c1-2-3-8-6-9(14)13(10(15)7-8)16-11(17)4-5-12(16)18/h4-7H,2-3H2,1H3.
What are the key properties of 1-(2,6-dibromo-4-propylphenyl)pyrrole-2,5-dione?
1-(2,6-dibromo-4-propylphenyl)pyrrole-2,5-dione has a molecular weight of 373.04 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibromo-4-propylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 159715556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).