(E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine

C5H7BrN2 — CID 89359111

IUPAC(E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine
SMILESC=N/C=C(Br)\C=N\C
InChIInChI=1S/C5H7BrN2/c1-7-3-5(6)4-8-2/h3-4H,1H2,2H3/b5-3+,8-4+
InChIKeyQIUMPQKZDTVGHI-MSLMYCKWSA-N
MW175.03 g/mol
LogP1.62
Rot. Bonds2

About (E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine

(E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine (PubChem CID 89359111) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is (E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine
PubChem CID89359111
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC Name(E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine
SMILESC=N/C=C(Br)\C=N\C
InChIInChI=1S/C5H7BrN2/c1-7-3-5(6)4-8-2/h3-4H,1H2,2H3/b5-3+,8-4+
InChIKeyQIUMPQKZDTVGHI-MSLMYCKWSA-N
XLogP1.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine?
The IUPAC name of (E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine (CID 89359111) is (E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine.
What is the SMILES notation for (E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine?
The canonical SMILES for (E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine is C=N/C=C(Br)\C=N\C.
What is the InChIKey of (E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine?
The InChIKey is QIUMPQKZDTVGHI-MSLMYCKWSA-N. The full InChI is InChI=1S/C5H7BrN2/c1-7-3-5(6)4-8-2/h3-4H,1H2,2H3/b5-3+,8-4+.
What are the key properties of (E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine?
(E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine has a molecular weight of 175.03 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine is sourced from PubChem (CID 89359111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).