1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione

C13H14BrNO2 — CID 59017825

IUPAC1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2cccc(Br)c2)C(=O)C1C
InChIInChI=1S/C13H14BrNO2/c1-8-9(2)13(17)15(12(8)16)7-10-4-3-5-11(14)6-10/h3-6,8-9H,7H2,1-2H3
InChIKeyDJWVOZBKZWPIRO-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.59
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione

1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 59017825) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID59017825
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2cccc(Br)c2)C(=O)C1C
InChIInChI=1S/C13H14BrNO2/c1-8-9(2)13(17)15(12(8)16)7-10-4-3-5-11(14)6-10/h3-6,8-9H,7H2,1-2H3
InChIKeyDJWVOZBKZWPIRO-UHFFFAOYSA-N
XLogP2.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-bromophenyl)methyl]pyrrole-2,5-dione
CID 60976377
1-[(3-bromophenyl)methyl]azepane-2,7-dione
CID 60976376
1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione
CID 61410415
2-[(3-bromophenyl)methyl]-5,6-difluoroisoindole-1,3-dione
CID 60774167
1-[(3-bromophenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 55169367
1-[(3-bromophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione
CID 76875677
2-[3-[(3-bromophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid
CID 10807143
3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one
CID 64910250
4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine
CID 130992812
1-[(3-bromophenyl)methyl]-4,6-dimethylindole-2,3-dione
CID 61354961
1-[(3-bromophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879076
4-[(3-bromophenyl)methyl]-3-methylpiperazine-2,6-dione
CID 66074859

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 59017825) is 1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(Cc2cccc(Br)c2)C(=O)C1C.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is DJWVOZBKZWPIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-8-9(2)13(17)15(12(8)16)7-10-4-3-5-11(14)6-10/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 296.16 g/mol, XLogP of 2.59, 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]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 59017825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).