3-amino-3-(furan-2-yl)propanoyl iodide

C7H8INO2 — CID 163471239

IUPAC3-amino-3-(furan-2-yl)propanoyl iodide
SMILESNC(CC(=O)I)c1ccco1
InChIInChI=1S/C7H8INO2/c8-7(10)4-5(9)6-2-1-3-11-6/h1-3,5H,4,9H2
InChIKeyBWRZHXHYVVJARO-UHFFFAOYSA-N
MW265.05 g/mol
LogP1.63
Rot. Bonds3

About 3-amino-3-(furan-2-yl)propanoyl iodide

3-amino-3-(furan-2-yl)propanoyl iodide (PubChem CID 163471239) has the molecular formula C7H8INO2 and a molecular weight of 265.05 g/mol. Its IUPAC name is 3-amino-3-(furan-2-yl)propanoyl iodide.

Molecular Properties

Compound Name3-amino-3-(furan-2-yl)propanoyl iodide
PubChem CID163471239
Molecular FormulaC7H8INO2
Molecular Weight265.05 g/mol
Exact Mass264.96
IUPAC Name3-amino-3-(furan-2-yl)propanoyl iodide
SMILESNC(CC(=O)I)c1ccco1
InChIInChI=1S/C7H8INO2/c8-7(10)4-5(9)6-2-1-3-11-6/h1-3,5H,4,9H2
InChIKeyBWRZHXHYVVJARO-UHFFFAOYSA-N
XLogP1.63
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-amino-3-(furan-2-yl)propanoyl iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(furan-2-yl)propanoyl iodide?
The IUPAC name of 3-amino-3-(furan-2-yl)propanoyl iodide (CID 163471239) is 3-amino-3-(furan-2-yl)propanoyl iodide.
What is the SMILES notation for 3-amino-3-(furan-2-yl)propanoyl iodide?
The canonical SMILES for 3-amino-3-(furan-2-yl)propanoyl iodide is NC(CC(=O)I)c1ccco1.
What is the InChIKey of 3-amino-3-(furan-2-yl)propanoyl iodide?
The InChIKey is BWRZHXHYVVJARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO2/c8-7(10)4-5(9)6-2-1-3-11-6/h1-3,5H,4,9H2.
What are the key properties of 3-amino-3-(furan-2-yl)propanoyl iodide?
3-amino-3-(furan-2-yl)propanoyl iodide has a molecular weight of 265.05 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(furan-2-yl)propanoyl iodide is sourced from PubChem (CID 163471239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).