3-(5-iodofuran-2-yl)prop-2-en-1-amine

C7H8INO — CID 169464799

IUPAC3-(5-iodofuran-2-yl)prop-2-en-1-amine
SMILESNCC=Cc1ccc(I)o1
InChIInChI=1S/C7H8INO/c8-7-4-3-6(10-7)2-1-5-9/h1-4H,5,9H2
InChIKeyJOZCWXZAHFWEBE-UHFFFAOYSA-N
MW249.05 g/mol
LogP1.86
Rot. Bonds2

About 3-(5-iodofuran-2-yl)prop-2-en-1-amine

3-(5-iodofuran-2-yl)prop-2-en-1-amine (PubChem CID 169464799) has the molecular formula C7H8INO and a molecular weight of 249.05 g/mol. Its IUPAC name is 3-(5-iodofuran-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(5-iodofuran-2-yl)prop-2-en-1-amine
PubChem CID169464799
Molecular FormulaC7H8INO
Molecular Weight249.05 g/mol
Exact Mass248.97
IUPAC Name3-(5-iodofuran-2-yl)prop-2-en-1-amine
SMILESNCC=Cc1ccc(I)o1
InChIInChI=1S/C7H8INO/c8-7-4-3-6(10-7)2-1-5-9/h1-4H,5,9H2
InChIKeyJOZCWXZAHFWEBE-UHFFFAOYSA-N
XLogP1.86
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-iodofuran-2-yl)prop-2-en-1-amine?
The IUPAC name of 3-(5-iodofuran-2-yl)prop-2-en-1-amine (CID 169464799) is 3-(5-iodofuran-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(5-iodofuran-2-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(5-iodofuran-2-yl)prop-2-en-1-amine is NCC=Cc1ccc(I)o1.
What is the InChIKey of 3-(5-iodofuran-2-yl)prop-2-en-1-amine?
The InChIKey is JOZCWXZAHFWEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO/c8-7-4-3-6(10-7)2-1-5-9/h1-4H,5,9H2.
What are the key properties of 3-(5-iodofuran-2-yl)prop-2-en-1-amine?
3-(5-iodofuran-2-yl)prop-2-en-1-amine has a molecular weight of 249.05 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodofuran-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 169464799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).