(E)-5-iodopent-2-ene

C5H9I — CID 11030715

IUPAC(E)-5-iodopent-2-ene
SMILESC/C=C/CCI
InChIInChI=1S/C5H9I/c1-2-3-4-5-6/h2-3H,4-5H2,1H3/b3-2+
InChIKeyBTZNWKCNDBNWIM-NSCUHMNNSA-N
MW196.03 g/mol
LogP2.39
Rot. Bonds2

About (E)-5-iodopent-2-ene

(E)-5-iodopent-2-ene (PubChem CID 11030715) has the molecular formula C5H9I and a molecular weight of 196.03 g/mol. Its IUPAC name is (E)-5-iodopent-2-ene.

Molecular Properties

Compound Name(E)-5-iodopent-2-ene
PubChem CID11030715
Molecular FormulaC5H9I
Molecular Weight196.03 g/mol
Exact Mass195.97
IUPAC Name(E)-5-iodopent-2-ene
SMILESC/C=C/CCI
InChIInChI=1S/C5H9I/c1-2-3-4-5-6/h2-3H,4-5H2,1H3/b3-2+
InChIKeyBTZNWKCNDBNWIM-NSCUHMNNSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.03
LogP ≤ 52.39
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'}

Analyze (E)-5-iodopent-2-ene 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)-5-iodopent-2-ene?
The IUPAC name of (E)-5-iodopent-2-ene (CID 11030715) is (E)-5-iodopent-2-ene.
What is the SMILES notation for (E)-5-iodopent-2-ene?
The canonical SMILES for (E)-5-iodopent-2-ene is C/C=C/CCI.
What is the InChIKey of (E)-5-iodopent-2-ene?
The InChIKey is BTZNWKCNDBNWIM-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H9I/c1-2-3-4-5-6/h2-3H,4-5H2,1H3/b3-2+.
What are the key properties of (E)-5-iodopent-2-ene?
(E)-5-iodopent-2-ene has a molecular weight of 196.03 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-iodopent-2-ene is sourced from PubChem (CID 11030715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).