1-iodo-2-propan-2-ylidenecyclopropane

C6H9I — CID 122667721

IUPAC1-iodo-2-propan-2-ylidenecyclopropane
SMILESCC(C)=C1CC1I
InChIInChI=1S/C6H9I/c1-4(2)5-3-6(5)7/h6H,3H2,1-2H3
InChIKeyTXMLRHAYKMMXJB-UHFFFAOYSA-N
MW208.04 g/mol
LogP2.53
Rot. Bonds

About 1-iodo-2-propan-2-ylidenecyclopropane

1-iodo-2-propan-2-ylidenecyclopropane (PubChem CID 122667721) has the molecular formula C6H9I and a molecular weight of 208.04 g/mol. Its IUPAC name is 1-iodo-2-propan-2-ylidenecyclopropane.

Molecular Properties

Compound Name1-iodo-2-propan-2-ylidenecyclopropane
PubChem CID122667721
Molecular FormulaC6H9I
Molecular Weight208.04 g/mol
Exact Mass207.97
IUPAC Name1-iodo-2-propan-2-ylidenecyclopropane
SMILESCC(C)=C1CC1I
InChIInChI=1S/C6H9I/c1-4(2)5-3-6(5)7/h6H,3H2,1-2H3
InChIKeyTXMLRHAYKMMXJB-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 52.53
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 1-iodo-2-propan-2-ylidenecyclopropane?
The IUPAC name of 1-iodo-2-propan-2-ylidenecyclopropane (CID 122667721) is 1-iodo-2-propan-2-ylidenecyclopropane.
What is the SMILES notation for 1-iodo-2-propan-2-ylidenecyclopropane?
The canonical SMILES for 1-iodo-2-propan-2-ylidenecyclopropane is CC(C)=C1CC1I.
What is the InChIKey of 1-iodo-2-propan-2-ylidenecyclopropane?
The InChIKey is TXMLRHAYKMMXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9I/c1-4(2)5-3-6(5)7/h6H,3H2,1-2H3.
What are the key properties of 1-iodo-2-propan-2-ylidenecyclopropane?
1-iodo-2-propan-2-ylidenecyclopropane has a molecular weight of 208.04 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-propan-2-ylidenecyclopropane is sourced from PubChem (CID 122667721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).