5-iodopent-1-en-4-yne

C5H5I — CID 71337175

IUPAC5-iodopent-1-en-4-yne
SMILESC=CCC#CI
InChIInChI=1S/C5H5I/c1-2-3-4-5-6/h2H,1,3H2
InChIKeyZYCDKTRANQZRGV-UHFFFAOYSA-N
MW192.00 g/mol
LogP1.96
Rot. Bonds1

About 5-iodopent-1-en-4-yne

5-iodopent-1-en-4-yne (PubChem CID 71337175) has the molecular formula C5H5I and a molecular weight of 192.00 g/mol. Its IUPAC name is 5-iodopent-1-en-4-yne.

Molecular Properties

Compound Name5-iodopent-1-en-4-yne
PubChem CID71337175
Molecular FormulaC5H5I
Molecular Weight192.00 g/mol
Exact Mass191.94
IUPAC Name5-iodopent-1-en-4-yne
SMILESC=CCC#CI
InChIInChI=1S/C5H5I/c1-2-3-4-5-6/h2H,1,3H2
InChIKeyZYCDKTRANQZRGV-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.00
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodopent-1-en-4-yne?
The IUPAC name of 5-iodopent-1-en-4-yne (CID 71337175) is 5-iodopent-1-en-4-yne.
What is the SMILES notation for 5-iodopent-1-en-4-yne?
The canonical SMILES for 5-iodopent-1-en-4-yne is C=CCC#CI.
What is the InChIKey of 5-iodopent-1-en-4-yne?
The InChIKey is ZYCDKTRANQZRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5I/c1-2-3-4-5-6/h2H,1,3H2.
What are the key properties of 5-iodopent-1-en-4-yne?
5-iodopent-1-en-4-yne has a molecular weight of 192.00 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodopent-1-en-4-yne is sourced from PubChem (CID 71337175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).