1-[(3-bromophenyl)methyl]pyrrole-2,5-dione

C11H8BrNO2 — CID 60976377

IUPAC1-[(3-bromophenyl)methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Cc1cccc(Br)c1
InChIInChI=1S/C11H8BrNO2/c12-9-3-1-2-8(6-9)7-13-10(14)4-5-11(13)15/h1-6H,7H2
InChIKeyVFOWGSSDYZJMOT-UHFFFAOYSA-N
MW266.09 g/mol
LogP1.87
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]pyrrole-2,5-dione

1-[(3-bromophenyl)methyl]pyrrole-2,5-dione (PubChem CID 60976377) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]pyrrole-2,5-dione
PubChem CID60976377
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name1-[(3-bromophenyl)methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Cc1cccc(Br)c1
InChIInChI=1S/C11H8BrNO2/c12-9-3-1-2-8(6-9)7-13-10(14)4-5-11(13)15/h1-6H,7H2
InChIKeyVFOWGSSDYZJMOT-UHFFFAOYSA-N
XLogP1.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
CID 22989002
1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 59017825
1-[(3-bromophenyl)methyl]azepane-2,7-dione
CID 60976376
1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione
CID 61410415
1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione
CID 61355930
2-[(3-bromophenyl)methyl]-5,6-difluoroisoindole-1,3-dione
CID 60774167
2-[3-[(3-bromophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid
CID 10807143
1-[(3-bromophenyl)methyl]-4,6-dimethylindole-2,3-dione
CID 61354961
1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione
CID 61358318
8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione
CID 60976541
3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47094861
1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one
CID 63459019

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(3-bromophenyl)methyl]pyrrole-2,5-dione (CID 60976377) is 1-[(3-bromophenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(3-bromophenyl)methyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1Cc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]pyrrole-2,5-dione?
The InChIKey is VFOWGSSDYZJMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c12-9-3-1-2-8(6-9)7-13-10(14)4-5-11(13)15/h1-6H,7H2.
What are the key properties of 1-[(3-bromophenyl)methyl]pyrrole-2,5-dione?
1-[(3-bromophenyl)methyl]pyrrole-2,5-dione has a molecular weight of 266.09 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 60976377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).