1-iodoethylidenecyclopropane

C5H7I — CID 122596235

IUPAC1-iodoethylidenecyclopropane
SMILESCC(I)=C1CC1
InChIInChI=1S/C5H7I/c1-4(6)5-2-3-5/h2-3H2,1H3
InChIKeyYSZVEEHAHBGUFU-UHFFFAOYSA-N
MW194.01 g/mol
LogP2.49
Rot. Bonds

About 1-iodoethylidenecyclopropane

1-iodoethylidenecyclopropane (PubChem CID 122596235) has the molecular formula C5H7I and a molecular weight of 194.01 g/mol. Its IUPAC name is 1-iodoethylidenecyclopropane.

Molecular Properties

Compound Name1-iodoethylidenecyclopropane
PubChem CID122596235
Molecular FormulaC5H7I
Molecular Weight194.01 g/mol
Exact Mass193.96
IUPAC Name1-iodoethylidenecyclopropane
SMILESCC(I)=C1CC1
InChIInChI=1S/C5H7I/c1-4(6)5-2-3-5/h2-3H2,1H3
InChIKeyYSZVEEHAHBGUFU-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.01
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodoethylidenecyclopropane?
The IUPAC name of 1-iodoethylidenecyclopropane (CID 122596235) is 1-iodoethylidenecyclopropane.
What is the SMILES notation for 1-iodoethylidenecyclopropane?
The canonical SMILES for 1-iodoethylidenecyclopropane is CC(I)=C1CC1.
What is the InChIKey of 1-iodoethylidenecyclopropane?
The InChIKey is YSZVEEHAHBGUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7I/c1-4(6)5-2-3-5/h2-3H2,1H3.
What are the key properties of 1-iodoethylidenecyclopropane?
1-iodoethylidenecyclopropane has a molecular weight of 194.01 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodoethylidenecyclopropane is sourced from PubChem (CID 122596235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).