(E)-4-bromohex-3-ene-1,2-diimine

C6H9BrN2 — CID 123403340

IUPAC(E)-4-bromohex-3-ene-1,2-diimine
SMILES[H]/N=C(\C=N\[H])/C=C(/Br)CC
InChIInChI=1S/C6H9BrN2/c1-2-5(7)3-6(9)4-8/h3-4,8-9H,2H2,1H3/b5-3+,8-4+,9-6-
InChIKeyCUQIUICFMSBUFE-RFWXLYLGSA-N
MW189.06 g/mol
LogP2.34
Rot. Bonds3

About (E)-4-bromohex-3-ene-1,2-diimine

(E)-4-bromohex-3-ene-1,2-diimine (PubChem CID 123403340) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is (E)-4-bromohex-3-ene-1,2-diimine.

Molecular Properties

Compound Name(E)-4-bromohex-3-ene-1,2-diimine
PubChem CID123403340
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name(E)-4-bromohex-3-ene-1,2-diimine
SMILES[H]/N=C(\C=N\[H])/C=C(/Br)CC
InChIInChI=1S/C6H9BrN2/c1-2-5(7)3-6(9)4-8/h3-4,8-9H,2H2,1H3/b5-3+,8-4+,9-6-
InChIKeyCUQIUICFMSBUFE-RFWXLYLGSA-N
XLogP2.34
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 52.34
H-Bond Donors ≤ 52
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)-4-bromohex-3-ene-1,2-diimine?
The IUPAC name of (E)-4-bromohex-3-ene-1,2-diimine (CID 123403340) is (E)-4-bromohex-3-ene-1,2-diimine.
What is the SMILES notation for (E)-4-bromohex-3-ene-1,2-diimine?
The canonical SMILES for (E)-4-bromohex-3-ene-1,2-diimine is [H]/N=C(\C=N\[H])/C=C(/Br)CC.
What is the InChIKey of (E)-4-bromohex-3-ene-1,2-diimine?
The InChIKey is CUQIUICFMSBUFE-RFWXLYLGSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-2-5(7)3-6(9)4-8/h3-4,8-9H,2H2,1H3/b5-3+,8-4+,9-6-.
What are the key properties of (E)-4-bromohex-3-ene-1,2-diimine?
(E)-4-bromohex-3-ene-1,2-diimine has a molecular weight of 189.06 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-bromohex-3-ene-1,2-diimine is sourced from PubChem (CID 123403340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).