(E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-imine

C6H7Br2N — CID 89259551

IUPAC(E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-imine
SMILESC/C=C(Br)\C=N\C=C\Br
InChIInChI=1S/C6H7Br2N/c1-2-6(8)5-9-4-3-7/h2-5H,1H3/b4-3+,6-2+,9-5+
InChIKeyWMSSJCMQLONUAU-XEPOYIHFSA-N
MW252.94 g/mol
LogP3.22
Rot. Bonds2

About (E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-imine

(E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-imine (PubChem CID 89259551) has the molecular formula C6H7Br2N and a molecular weight of 252.94 g/mol. Its IUPAC name is (E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-imine
PubChem CID89259551
Molecular FormulaC6H7Br2N
Molecular Weight252.94 g/mol
Exact Mass250.89
IUPAC Name(E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-imine
SMILESC/C=C(Br)\C=N\C=C\Br
InChIInChI=1S/C6H7Br2N/c1-2-6(8)5-9-4-3-7/h2-5H,1H3/b4-3+,6-2+,9-5+
InChIKeyWMSSJCMQLONUAU-XEPOYIHFSA-N
XLogP3.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.94
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-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 (E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-imine?
The IUPAC name of (E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-imine (CID 89259551) is (E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-imine.
What is the SMILES notation for (E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-imine?
The canonical SMILES for (E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-imine is C/C=C(Br)\C=N\C=C\Br.
What is the InChIKey of (E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-imine?
The InChIKey is WMSSJCMQLONUAU-XEPOYIHFSA-N. The full InChI is InChI=1S/C6H7Br2N/c1-2-6(8)5-9-4-3-7/h2-5H,1H3/b4-3+,6-2+,9-5+.
What are the key properties of (E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-imine?
(E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-imine has a molecular weight of 252.94 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-imine is sourced from PubChem (CID 89259551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).