2-[(E)-1-iodoprop-1-enyl]bicyclo[2.2.0]hexane

C9H13I — CID 89014654

IUPAC2-[(E)-1-iodoprop-1-enyl]bicyclo[2.2.0]hexane
SMILESC/C=C(/I)C1CC2CCC21
InChIInChI=1S/C9H13I/c1-2-9(10)8-5-6-3-4-7(6)8/h2,6-8H,3-5H2,1H3/b9-2+
InChIKeyODOBLPCRLQCHMF-XNWCZRBMSA-N
MW248.11 g/mol
LogP3.37
Rot. Bonds1

About 2-[(E)-1-iodoprop-1-enyl]bicyclo[2.2.0]hexane

2-[(E)-1-iodoprop-1-enyl]bicyclo[2.2.0]hexane (PubChem CID 89014654) has the molecular formula C9H13I and a molecular weight of 248.11 g/mol. Its IUPAC name is 2-[(E)-1-iodoprop-1-enyl]bicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2-[(E)-1-iodoprop-1-enyl]bicyclo[2.2.0]hexane
PubChem CID89014654
Molecular FormulaC9H13I
Molecular Weight248.11 g/mol
Exact Mass248.01
IUPAC Name2-[(E)-1-iodoprop-1-enyl]bicyclo[2.2.0]hexane
SMILESC/C=C(/I)C1CC2CCC21
InChIInChI=1S/C9H13I/c1-2-9(10)8-5-6-3-4-7(6)8/h2,6-8H,3-5H2,1H3/b9-2+
InChIKeyODOBLPCRLQCHMF-XNWCZRBMSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 53.37
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 2-[(E)-1-iodoprop-1-enyl]bicyclo[2.2.0]hexane?
The IUPAC name of 2-[(E)-1-iodoprop-1-enyl]bicyclo[2.2.0]hexane (CID 89014654) is 2-[(E)-1-iodoprop-1-enyl]bicyclo[2.2.0]hexane.
What is the SMILES notation for 2-[(E)-1-iodoprop-1-enyl]bicyclo[2.2.0]hexane?
The canonical SMILES for 2-[(E)-1-iodoprop-1-enyl]bicyclo[2.2.0]hexane is C/C=C(/I)C1CC2CCC21.
What is the InChIKey of 2-[(E)-1-iodoprop-1-enyl]bicyclo[2.2.0]hexane?
The InChIKey is ODOBLPCRLQCHMF-XNWCZRBMSA-N. The full InChI is InChI=1S/C9H13I/c1-2-9(10)8-5-6-3-4-7(6)8/h2,6-8H,3-5H2,1H3/b9-2+.
What are the key properties of 2-[(E)-1-iodoprop-1-enyl]bicyclo[2.2.0]hexane?
2-[(E)-1-iodoprop-1-enyl]bicyclo[2.2.0]hexane has a molecular weight of 248.11 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-iodoprop-1-enyl]bicyclo[2.2.0]hexane is sourced from PubChem (CID 89014654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).