3-ethenyl-1λ3-iodacyclopentene

C6H9I — CID 163461147

IUPAC3-ethenyl-1λ3-iodacyclopentene
SMILESC=CC1C=ICC1
InChIInChI=1S/C6H9I/c1-2-6-3-4-7-5-6/h2,5-6H,1,3-4H2
InChIKeyBORDNRAUUHVODX-UHFFFAOYSA-N
MW208.04 g/mol
LogP1.97
Rot. Bonds1

About 3-ethenyl-1λ3-iodacyclopentene

3-ethenyl-1λ3-iodacyclopentene (PubChem CID 163461147) has the molecular formula C6H9I and a molecular weight of 208.04 g/mol. Its IUPAC name is 3-ethenyl-1λ3-iodacyclopentene.

Molecular Properties

Compound Name3-ethenyl-1λ3-iodacyclopentene
PubChem CID163461147
Molecular FormulaC6H9I
Molecular Weight208.04 g/mol
Exact Mass207.97
IUPAC Name3-ethenyl-1λ3-iodacyclopentene
SMILESC=CC1C=ICC1
InChIInChI=1S/C6H9I/c1-2-6-3-4-7-5-6/h2,5-6H,1,3-4H2
InChIKeyBORDNRAUUHVODX-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 51.97
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

(3R,5S)-3,5-bis(ethenyl)cyclopentene
CID 54522339
4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid
CID 142722064
3-ethenyl-2,3-dihydro-1H-pyrrole
CID 154585398
(8R)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
CID 102592897
4-ethenyl-2-hydroxycyclohex-2-en-1-one
CID 101273085
4-ethenyl-3-methylidenecyclohexene
CID 561677
bicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene
CID 159756335
2-bromo-5-ethenylcyclohexa-1,3-diene
CID 90773637
1,1-dideuterio-2-ethenylcyclopropane
CID 152527695
7-ethenylcyclohepta-1,3,5-triene
CID 12859964
2-vinylcyclopropyl silane
CID 154724301
ethenylcyclotetradecane
CID 123915888

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1λ3-iodacyclopentene?
The IUPAC name of 3-ethenyl-1λ3-iodacyclopentene (CID 163461147) is 3-ethenyl-1λ3-iodacyclopentene.
What is the SMILES notation for 3-ethenyl-1λ3-iodacyclopentene?
The canonical SMILES for 3-ethenyl-1λ3-iodacyclopentene is C=CC1C=ICC1.
What is the InChIKey of 3-ethenyl-1λ3-iodacyclopentene?
The InChIKey is BORDNRAUUHVODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9I/c1-2-6-3-4-7-5-6/h2,5-6H,1,3-4H2.
What are the key properties of 3-ethenyl-1λ3-iodacyclopentene?
3-ethenyl-1λ3-iodacyclopentene has a molecular weight of 208.04 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1λ3-iodacyclopentene is sourced from PubChem (CID 163461147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).