4-iodo-1-methylcyclopentene

C6H9I — CID 144823254

IUPAC4-iodo-1-methylcyclopentene
SMILESCC1=CCC(I)C1
InChIInChI=1S/C6H9I/c1-5-2-3-6(7)4-5/h2,6H,3-4H2,1H3
InChIKeyXVHDJTGHLXQPSJ-UHFFFAOYSA-N
MW208.04 g/mol
LogP2.53
Rot. Bonds

About 4-iodo-1-methylcyclopentene

4-iodo-1-methylcyclopentene (PubChem CID 144823254) has the molecular formula C6H9I and a molecular weight of 208.04 g/mol. Its IUPAC name is 4-iodo-1-methylcyclopentene.

Molecular Properties

Compound Name4-iodo-1-methylcyclopentene
PubChem CID144823254
Molecular FormulaC6H9I
Molecular Weight208.04 g/mol
Exact Mass207.97
IUPAC Name4-iodo-1-methylcyclopentene
SMILESCC1=CCC(I)C1
InChIInChI=1S/C6H9I/c1-5-2-3-6(7)4-5/h2,6H,3-4H2,1H3
InChIKeyXVHDJTGHLXQPSJ-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 4-iodo-1-methylcyclopentene?
The IUPAC name of 4-iodo-1-methylcyclopentene (CID 144823254) is 4-iodo-1-methylcyclopentene.
What is the SMILES notation for 4-iodo-1-methylcyclopentene?
The canonical SMILES for 4-iodo-1-methylcyclopentene is CC1=CCC(I)C1.
What is the InChIKey of 4-iodo-1-methylcyclopentene?
The InChIKey is XVHDJTGHLXQPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9I/c1-5-2-3-6(7)4-5/h2,6H,3-4H2,1H3.
What are the key properties of 4-iodo-1-methylcyclopentene?
4-iodo-1-methylcyclopentene 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 4-iodo-1-methylcyclopentene is sourced from PubChem (CID 144823254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).