(Z,E)-2-bromo-N-(bromomethyl)but-2-en-1-imine

C5H7Br2N — CID 143930734

IUPAC(Z,E)-2-bromo-N-(bromomethyl)but-2-en-1-imine
SMILESC/C=C(Br)\C=N/CBr
InChIInChI=1S/C5H7Br2N/c1-2-5(7)3-8-4-6/h2-3H,4H2,1H3/b5-2+,8-3-
InChIKeySEFRPCMWLFZFLH-GUYPDVCDSA-N
MW240.93 g/mol
LogP2.71
Rot. Bonds2

About (Z,E)-2-bromo-N-(bromomethyl)but-2-en-1-imine

(Z,E)-2-bromo-N-(bromomethyl)but-2-en-1-imine (PubChem CID 143930734) has the molecular formula C5H7Br2N and a molecular weight of 240.93 g/mol. Its IUPAC name is (Z,E)-2-bromo-N-(bromomethyl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z,E)-2-bromo-N-(bromomethyl)but-2-en-1-imine
PubChem CID143930734
Molecular FormulaC5H7Br2N
Molecular Weight240.93 g/mol
Exact Mass238.89
IUPAC Name(Z,E)-2-bromo-N-(bromomethyl)but-2-en-1-imine
SMILESC/C=C(Br)\C=N/CBr
InChIInChI=1S/C5H7Br2N/c1-2-5(7)3-8-4-6/h2-3H,4H2,1H3/b5-2+,8-3-
InChIKeySEFRPCMWLFZFLH-GUYPDVCDSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.93
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,E)-2-bromo-N-(bromomethyl)but-2-en-1-imine?
The IUPAC name of (Z,E)-2-bromo-N-(bromomethyl)but-2-en-1-imine (CID 143930734) is (Z,E)-2-bromo-N-(bromomethyl)but-2-en-1-imine.
What is the SMILES notation for (Z,E)-2-bromo-N-(bromomethyl)but-2-en-1-imine?
The canonical SMILES for (Z,E)-2-bromo-N-(bromomethyl)but-2-en-1-imine is C/C=C(Br)\C=N/CBr.
What is the InChIKey of (Z,E)-2-bromo-N-(bromomethyl)but-2-en-1-imine?
The InChIKey is SEFRPCMWLFZFLH-GUYPDVCDSA-N. The full InChI is InChI=1S/C5H7Br2N/c1-2-5(7)3-8-4-6/h2-3H,4H2,1H3/b5-2+,8-3-.
What are the key properties of (Z,E)-2-bromo-N-(bromomethyl)but-2-en-1-imine?
(Z,E)-2-bromo-N-(bromomethyl)but-2-en-1-imine has a molecular weight of 240.93 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,E)-2-bromo-N-(bromomethyl)but-2-en-1-imine is sourced from PubChem (CID 143930734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).