3-iodobicyclo[3.2.0]hepta-1(5),2-diene

C7H7I — CID 130412402

IUPAC3-iodobicyclo[3.2.0]hepta-1(5),2-diene
SMILESIC1=CC2=C(CC2)C1
InChIInChI=1S/C7H7I/c8-7-3-5-1-2-6(5)4-7/h3H,1-2,4H2
InChIKeyINDFVARIXWROAR-UHFFFAOYSA-N
MW218.04 g/mol
LogP2.80
Rot. Bonds

About 3-iodobicyclo[3.2.0]hepta-1(5),2-diene

3-iodobicyclo[3.2.0]hepta-1(5),2-diene (PubChem CID 130412402) has the molecular formula C7H7I and a molecular weight of 218.04 g/mol. Its IUPAC name is 3-iodobicyclo[3.2.0]hepta-1(5),2-diene.

Molecular Properties

Compound Name3-iodobicyclo[3.2.0]hepta-1(5),2-diene
PubChem CID130412402
Molecular FormulaC7H7I
Molecular Weight218.04 g/mol
Exact Mass217.96
IUPAC Name3-iodobicyclo[3.2.0]hepta-1(5),2-diene
SMILESIC1=CC2=C(CC2)C1
InChIInChI=1S/C7H7I/c8-7-3-5-1-2-6(5)4-7/h3H,1-2,4H2
InChIKeyINDFVARIXWROAR-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.04
LogP ≤ 52.80
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 3-iodobicyclo[3.2.0]hepta-1(5),2-diene?
The IUPAC name of 3-iodobicyclo[3.2.0]hepta-1(5),2-diene (CID 130412402) is 3-iodobicyclo[3.2.0]hepta-1(5),2-diene.
What is the SMILES notation for 3-iodobicyclo[3.2.0]hepta-1(5),2-diene?
The canonical SMILES for 3-iodobicyclo[3.2.0]hepta-1(5),2-diene is IC1=CC2=C(CC2)C1.
What is the InChIKey of 3-iodobicyclo[3.2.0]hepta-1(5),2-diene?
The InChIKey is INDFVARIXWROAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7I/c8-7-3-5-1-2-6(5)4-7/h3H,1-2,4H2.
What are the key properties of 3-iodobicyclo[3.2.0]hepta-1(5),2-diene?
3-iodobicyclo[3.2.0]hepta-1(5),2-diene has a molecular weight of 218.04 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodobicyclo[3.2.0]hepta-1(5),2-diene is sourced from PubChem (CID 130412402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).