1-(iodomethyl)-2-propylcyclopropane

C7H13I — CID 88994934

IUPAC1-(iodomethyl)-2-propylcyclopropane
SMILESCCCC1CC1CI
InChIInChI=1S/C7H13I/c1-2-3-6-4-7(6)5-8/h6-7H,2-5H2,1H3
InChIKeyZPFMCMBHSAKULZ-UHFFFAOYSA-N
MW224.08 g/mol
LogP2.86
Rot. Bonds3

About 1-(iodomethyl)-2-propylcyclopropane

1-(iodomethyl)-2-propylcyclopropane (PubChem CID 88994934) has the molecular formula C7H13I and a molecular weight of 224.08 g/mol. Its IUPAC name is 1-(iodomethyl)-2-propylcyclopropane.

Molecular Properties

Compound Name1-(iodomethyl)-2-propylcyclopropane
PubChem CID88994934
Molecular FormulaC7H13I
Molecular Weight224.08 g/mol
Exact Mass224.01
IUPAC Name1-(iodomethyl)-2-propylcyclopropane
SMILESCCCC1CC1CI
InChIInChI=1S/C7H13I/c1-2-3-6-4-7(6)5-8/h6-7H,2-5H2,1H3
InChIKeyZPFMCMBHSAKULZ-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.08
LogP ≤ 52.86
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-(iodomethyl)-2-propylcyclopropane?
The IUPAC name of 1-(iodomethyl)-2-propylcyclopropane (CID 88994934) is 1-(iodomethyl)-2-propylcyclopropane.
What is the SMILES notation for 1-(iodomethyl)-2-propylcyclopropane?
The canonical SMILES for 1-(iodomethyl)-2-propylcyclopropane is CCCC1CC1CI.
What is the InChIKey of 1-(iodomethyl)-2-propylcyclopropane?
The InChIKey is ZPFMCMBHSAKULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13I/c1-2-3-6-4-7(6)5-8/h6-7H,2-5H2,1H3.
What are the key properties of 1-(iodomethyl)-2-propylcyclopropane?
1-(iodomethyl)-2-propylcyclopropane has a molecular weight of 224.08 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-2-propylcyclopropane is sourced from PubChem (CID 88994934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).