(E)-1-iodobut-2-ene

C4H7I — CID 6432602

IUPAC(E)-1-iodobut-2-ene
SMILESC/C=C/CI
InChIInChI=1S/C4H7I/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+
InChIKeyLOPHPAWGOMDGMA-NSCUHMNNSA-N
MW182.00 g/mol
LogP2.00
Rot. Bonds1

About (E)-1-iodobut-2-ene

(E)-1-iodobut-2-ene (PubChem CID 6432602) has the molecular formula C4H7I and a molecular weight of 182.00 g/mol. Its IUPAC name is (E)-1-iodobut-2-ene.

Molecular Properties

Compound Name(E)-1-iodobut-2-ene
PubChem CID6432602
Molecular FormulaC4H7I
Molecular Weight182.00 g/mol
Exact Mass181.96
IUPAC Name(E)-1-iodobut-2-ene
SMILESC/C=C/CI
InChIInChI=1S/C4H7I/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+
InChIKeyLOPHPAWGOMDGMA-NSCUHMNNSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.00
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-iodobut-2-ene?
The IUPAC name of (E)-1-iodobut-2-ene (CID 6432602) is (E)-1-iodobut-2-ene.
What is the SMILES notation for (E)-1-iodobut-2-ene?
The canonical SMILES for (E)-1-iodobut-2-ene is C/C=C/CI.
What is the InChIKey of (E)-1-iodobut-2-ene?
The InChIKey is LOPHPAWGOMDGMA-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H7I/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+.
What are the key properties of (E)-1-iodobut-2-ene?
(E)-1-iodobut-2-ene has a molecular weight of 182.00 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iodobut-2-ene is sourced from PubChem (CID 6432602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).