3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione

C14H15BrN2O2 — CID 60779338

IUPAC3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccc(Br)cc2)C(=O)N1C1CC1
InChIInChI=1S/C14H15BrN2O2/c15-10-3-1-9(2-4-10)8-16-12-7-13(18)17(14(12)19)11-5-6-11/h1-4,11-12,16H,5-8H2
InChIKeyZXLZLFDYHARKMA-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.83
Rot. Bonds4

About 3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione

3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione (PubChem CID 60779338) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione
PubChem CID60779338
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccc(Br)cc2)C(=O)N1C1CC1
InChIInChI=1S/C14H15BrN2O2/c15-10-3-1-9(2-4-10)8-16-12-7-13(18)17(14(12)19)11-5-6-11/h1-4,11-12,16H,5-8H2
InChIKeyZXLZLFDYHARKMA-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione (CID 60779338) is 3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione is O=C1CC(NCc2ccc(Br)cc2)C(=O)N1C1CC1.
What is the InChIKey of 3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione?
The InChIKey is ZXLZLFDYHARKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-10-3-1-9(2-4-10)8-16-12-7-13(18)17(14(12)19)11-5-6-11/h1-4,11-12,16H,5-8H2.
What are the key properties of 3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione?
3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione has a molecular weight of 323.19 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione is sourced from PubChem (CID 60779338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).