2-(3-iodopropyl)-2H-furan-5-one

C7H9IO2 — CID 10901107

IUPAC2-(3-iodopropyl)-2H-furan-5-one
SMILESO=C1C=CC(CCCI)O1
InChIInChI=1S/C7H9IO2/c8-5-1-2-6-3-4-7(9)10-6/h3-4,6H,1-2,5H2
InChIKeyDXLSGSNBPLFGPK-UHFFFAOYSA-N
MW252.05 g/mol
LogP1.68
Rot. Bonds3

About 2-(3-iodopropyl)-2H-furan-5-one

2-(3-iodopropyl)-2H-furan-5-one (PubChem CID 10901107) has the molecular formula C7H9IO2 and a molecular weight of 252.05 g/mol. Its IUPAC name is 2-(3-iodopropyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-(3-iodopropyl)-2H-furan-5-one
PubChem CID10901107
Molecular FormulaC7H9IO2
Molecular Weight252.05 g/mol
Exact Mass251.96
IUPAC Name2-(3-iodopropyl)-2H-furan-5-one
SMILESO=C1C=CC(CCCI)O1
InChIInChI=1S/C7H9IO2/c8-5-1-2-6-3-4-7(9)10-6/h3-4,6H,1-2,5H2
InChIKeyDXLSGSNBPLFGPK-UHFFFAOYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.05
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(3-iodopropyl)-2H-furan-5-one?
The IUPAC name of 2-(3-iodopropyl)-2H-furan-5-one (CID 10901107) is 2-(3-iodopropyl)-2H-furan-5-one.
What is the SMILES notation for 2-(3-iodopropyl)-2H-furan-5-one?
The canonical SMILES for 2-(3-iodopropyl)-2H-furan-5-one is O=C1C=CC(CCCI)O1.
What is the InChIKey of 2-(3-iodopropyl)-2H-furan-5-one?
The InChIKey is DXLSGSNBPLFGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IO2/c8-5-1-2-6-3-4-7(9)10-6/h3-4,6H,1-2,5H2.
What are the key properties of 2-(3-iodopropyl)-2H-furan-5-one?
2-(3-iodopropyl)-2H-furan-5-one has a molecular weight of 252.05 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodopropyl)-2H-furan-5-one is sourced from PubChem (CID 10901107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).