1-[4-(3-bromophenyl)butyl]pyrrolidine-2,5-dione

C14H16BrNO2 — CID 53342176

IUPAC1-[4-(3-bromophenyl)butyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCc1cccc(Br)c1
InChIInChI=1S/C14H16BrNO2/c15-12-6-3-5-11(10-12)4-1-2-9-16-13(17)7-8-14(16)18/h3,5-6,10H,1-2,4,7-9H2
InChIKeySZGJOHTUVCUYHN-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.92
Rot. Bonds5

About 1-[4-(3-bromophenyl)butyl]pyrrolidine-2,5-dione

1-[4-(3-bromophenyl)butyl]pyrrolidine-2,5-dione (PubChem CID 53342176) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-[4-(3-bromophenyl)butyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(3-bromophenyl)butyl]pyrrolidine-2,5-dione
PubChem CID53342176
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name1-[4-(3-bromophenyl)butyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCc1cccc(Br)c1
InChIInChI=1S/C14H16BrNO2/c15-12-6-3-5-11(10-12)4-1-2-9-16-13(17)7-8-14(16)18/h3,5-6,10H,1-2,4,7-9H2
InChIKeySZGJOHTUVCUYHN-UHFFFAOYSA-N
XLogP2.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-bromophenyl)methyl]azepane-2,7-dione
CID 60976376
1-bromo-3-(6-phenylhexyl)benzene
CID 145197049
1-[(3-bromophenyl)methylsulfanyl]pyrrolidine-2,5-dione
CID 140694659
4-[2-(3-bromophenyl)ethyl]-1,4-diazepan-5-one
CID 82308154
5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide
CID 56559319
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
6-(3-bromophenyl)-2-methylhexan-3-one
CID 64505952
1-[2-(3-bromophenyl)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663110
2-(3-bromophenyl)acetate
CID 3608673
1-[(3-bromophenyl)methyl]pyrrole-2,5-dione
CID 60976377
3-(3-bromophenyl)propanamide
CID 20823841
3-(3-bromophenyl)propanoyl chloride
CID 12607235

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromophenyl)butyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(3-bromophenyl)butyl]pyrrolidine-2,5-dione (CID 53342176) is 1-[4-(3-bromophenyl)butyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(3-bromophenyl)butyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(3-bromophenyl)butyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCCCc1cccc(Br)c1.
What is the InChIKey of 1-[4-(3-bromophenyl)butyl]pyrrolidine-2,5-dione?
The InChIKey is SZGJOHTUVCUYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c15-12-6-3-5-11(10-12)4-1-2-9-16-13(17)7-8-14(16)18/h3,5-6,10H,1-2,4,7-9H2.
What are the key properties of 1-[4-(3-bromophenyl)butyl]pyrrolidine-2,5-dione?
1-[4-(3-bromophenyl)butyl]pyrrolidine-2,5-dione has a molecular weight of 310.19 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromophenyl)butyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 53342176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).