1-iodopenta-1,4-diene

C5H7I — CID 91304980

IUPAC1-iodopenta-1,4-diene
SMILESC=CCC=CI
InChIInChI=1S/C5H7I/c1-2-3-4-5-6/h2,4-5H,1,3H2
InChIKeyHUHQDXWOJHPTDY-UHFFFAOYSA-N
MW194.01 g/mol
LogP2.51
Rot. Bonds2

About 1-iodopenta-1,4-diene

1-iodopenta-1,4-diene (PubChem CID 91304980) has the molecular formula C5H7I and a molecular weight of 194.01 g/mol. Its IUPAC name is 1-iodopenta-1,4-diene.

Molecular Properties

Compound Name1-iodopenta-1,4-diene
PubChem CID91304980
Molecular FormulaC5H7I
Molecular Weight194.01 g/mol
Exact Mass193.96
IUPAC Name1-iodopenta-1,4-diene
SMILESC=CCC=CI
InChIInChI=1S/C5H7I/c1-2-3-4-5-6/h2,4-5H,1,3H2
InChIKeyHUHQDXWOJHPTDY-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.01
LogP ≤ 52.51
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'}

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Related Compounds

4-Iodobut-1-ene
CID 543216
6-Iodo-1-hexene
CID 10878409
5-Iodopent-1-ene
CID 10987172
4-Iodopent-1-ene
CID 13244562
E-1-iodo-1-butene
CID 10986905
cis-1-Iodo-1-pentene
CID 11116953
1-Iodo-(z)-1-butene
CID 11830050
(E)-1-iodo-1-pentene
CID 12173745
3-Iodo-1-pentene
CID 54238517
4,4-Diiodo-1-butene
CID 86216225
4-Iodohepta-1,6-diene
CID 15946465
(1Z,4Z)-1,5-Diiodo-1,4-pentadiene
CID 92033249

Frequently Asked Questions

What is the IUPAC name of 1-iodopenta-1,4-diene?
The IUPAC name of 1-iodopenta-1,4-diene (CID 91304980) is 1-iodopenta-1,4-diene.
What is the SMILES notation for 1-iodopenta-1,4-diene?
The canonical SMILES for 1-iodopenta-1,4-diene is C=CCC=CI.
What is the InChIKey of 1-iodopenta-1,4-diene?
The InChIKey is HUHQDXWOJHPTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7I/c1-2-3-4-5-6/h2,4-5H,1,3H2.
What are the key properties of 1-iodopenta-1,4-diene?
1-iodopenta-1,4-diene has a molecular weight of 194.01 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodopenta-1,4-diene is sourced from PubChem (CID 91304980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).