1-(2,4-dibromophenyl)pyrrolidin-2-imine

C10H10Br2N2 — CID 61474511

IUPAC1-(2,4-dibromophenyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2N2/c11-7-3-4-9(8(12)6-7)14-5-1-2-10(14)13/h3-4,6,13H,1-2,5H2/b13-10+
InChIKeyZLPKORKPQIUOKR-JLHYYAGUSA-N
MW318.01 g/mol
LogP3.79
Rot. Bonds1

About 1-(2,4-dibromophenyl)pyrrolidin-2-imine

1-(2,4-dibromophenyl)pyrrolidin-2-imine (PubChem CID 61474511) has the molecular formula C10H10Br2N2 and a molecular weight of 318.01 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)pyrrolidin-2-imine
PubChem CID61474511
Molecular FormulaC10H10Br2N2
Molecular Weight318.01 g/mol
Exact Mass315.92
IUPAC Name1-(2,4-dibromophenyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2N2/c11-7-3-4-9(8(12)6-7)14-5-1-2-10(14)13/h3-4,6,13H,1-2,5H2/b13-10+
InChIKeyZLPKORKPQIUOKR-JLHYYAGUSA-N
XLogP3.79
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.01
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(2,4-dibromophenyl)pyrrolidin-2-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)pyrrolidin-2-imine?
The IUPAC name of 1-(2,4-dibromophenyl)pyrrolidin-2-imine (CID 61474511) is 1-(2,4-dibromophenyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(2,4-dibromophenyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(2,4-dibromophenyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)pyrrolidin-2-imine?
The InChIKey is ZLPKORKPQIUOKR-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H10Br2N2/c11-7-3-4-9(8(12)6-7)14-5-1-2-10(14)13/h3-4,6,13H,1-2,5H2/b13-10+.
What are the key properties of 1-(2,4-dibromophenyl)pyrrolidin-2-imine?
1-(2,4-dibromophenyl)pyrrolidin-2-imine has a molecular weight of 318.01 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)pyrrolidin-2-imine is sourced from PubChem (CID 61474511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).