(1-iodocyclopropyl)benzene

C9H9I — CID 68648417

IUPAC(1-iodocyclopropyl)benzene
SMILESIC1(c2ccccc2)CC1
InChIInChI=1S/C9H9I/c10-9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyKPOCAUDKEMVGQM-UHFFFAOYSA-N
MW244.07 g/mol
LogP3.11
Rot. Bonds1

About (1-iodocyclopropyl)benzene

(1-iodocyclopropyl)benzene (PubChem CID 68648417) has the molecular formula C9H9I and a molecular weight of 244.07 g/mol. Its IUPAC name is (1-iodocyclopropyl)benzene.

Molecular Properties

Compound Name(1-iodocyclopropyl)benzene
PubChem CID68648417
Molecular FormulaC9H9I
Molecular Weight244.07 g/mol
Exact Mass243.97
IUPAC Name(1-iodocyclopropyl)benzene
SMILESIC1(c2ccccc2)CC1
InChIInChI=1S/C9H9I/c10-9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyKPOCAUDKEMVGQM-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 53.11
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'}

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Frequently Asked Questions

What is the IUPAC name of (1-iodocyclopropyl)benzene?
The IUPAC name of (1-iodocyclopropyl)benzene (CID 68648417) is (1-iodocyclopropyl)benzene.
What is the SMILES notation for (1-iodocyclopropyl)benzene?
The canonical SMILES for (1-iodocyclopropyl)benzene is IC1(c2ccccc2)CC1.
What is the InChIKey of (1-iodocyclopropyl)benzene?
The InChIKey is KPOCAUDKEMVGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9I/c10-9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of (1-iodocyclopropyl)benzene?
(1-iodocyclopropyl)benzene has a molecular weight of 244.07 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodocyclopropyl)benzene is sourced from PubChem (CID 68648417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).