1-iodotricyclo[5.2.1.02,6]dec-3-ene

C10H13I — CID 54402940

IUPAC1-iodotricyclo[5.2.1.02,6]dec-3-ene
SMILESIC12CCC(C1)C1CC=CC12
InChIInChI=1S/C10H13I/c11-10-5-4-7(6-10)8-2-1-3-9(8)10/h1,3,7-9H,2,4-6H2
InChIKeyVOSKJSMCIPBEKU-UHFFFAOYSA-N
MW260.12 g/mol
LogP3.17
Rot. Bonds

About 1-iodotricyclo[5.2.1.02,6]dec-3-ene

1-iodotricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 54402940) has the molecular formula C10H13I and a molecular weight of 260.12 g/mol. Its IUPAC name is 1-iodotricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name1-iodotricyclo[5.2.1.02,6]dec-3-ene
PubChem CID54402940
Molecular FormulaC10H13I
Molecular Weight260.12 g/mol
Exact Mass260.01
IUPAC Name1-iodotricyclo[5.2.1.02,6]dec-3-ene
SMILESIC12CCC(C1)C1CC=CC12
InChIInChI=1S/C10H13I/c11-10-5-4-7(6-10)8-2-1-3-9(8)10/h1,3,7-9H,2,4-6H2
InChIKeyVOSKJSMCIPBEKU-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.17
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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Related Compounds

Dicyclopentadiene
CID 6492
Dihydrodicyclopentadiene
CID 95605
4,7-Methanoindene, 3a,4,7,7a-tetrahydro-, endo-(+)-
CID 10176158
4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-, (3aalpha,4alpha,7alpha,7aalpha)-
CID 11815882
endo-Dicyclopentadiene
CID 15618652
Exo-dicyclopentadiene
CID 639589
2,3,3a,4,7,7a-Hexahydro-4,7-methano-1H-indene
CID 86868
Albene
CID 11084199
(3aS,4S,7R,7aS)-3a,7a-Dimethyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene
CID 15558667
(1S,2R,6R,7R)-tricyclo[5.2.1.02,6]deca-3,8-diene
CID 11367005
4,7-Methano-1H-indene, 2,3,3a,4,7,7a-hexahydro-, (3aR,4S,7R,7aS)-rel-
CID 10920556
Bis[cyclopentadiene]
CID 15618650

Frequently Asked Questions

What is the IUPAC name of 1-iodotricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of 1-iodotricyclo[5.2.1.02,6]dec-3-ene (CID 54402940) is 1-iodotricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for 1-iodotricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for 1-iodotricyclo[5.2.1.02,6]dec-3-ene is IC12CCC(C1)C1CC=CC12.
What is the InChIKey of 1-iodotricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is VOSKJSMCIPBEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13I/c11-10-5-4-7(6-10)8-2-1-3-9(8)10/h1,3,7-9H,2,4-6H2.
What are the key properties of 1-iodotricyclo[5.2.1.02,6]dec-3-ene?
1-iodotricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 260.12 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodotricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 54402940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).