(E)-3-(5-iodofuran-2-yl)-2-methylprop-2-enoic acid

C8H7IO3 — CID 170873010

IUPAC(E)-3-(5-iodofuran-2-yl)-2-methylprop-2-enoic acid
SMILESC/C(=C\c1ccc(I)o1)C(=O)O
InChIInChI=1S/C8H7IO3/c1-5(8(10)11)4-6-2-3-7(9)12-6/h2-4H,1H3,(H,10,11)/b5-4+
InChIKeyBDFIFORZYDCAGL-SNAWJCMRSA-N
MW278.05 g/mol
LogP2.37
Rot. Bonds2

About (E)-3-(5-iodofuran-2-yl)-2-methylprop-2-enoic acid

(E)-3-(5-iodofuran-2-yl)-2-methylprop-2-enoic acid (PubChem CID 170873010) has the molecular formula C8H7IO3 and a molecular weight of 278.05 g/mol. Its IUPAC name is (E)-3-(5-iodofuran-2-yl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(5-iodofuran-2-yl)-2-methylprop-2-enoic acid
PubChem CID170873010
Molecular FormulaC8H7IO3
Molecular Weight278.05 g/mol
Exact Mass277.94
IUPAC Name(E)-3-(5-iodofuran-2-yl)-2-methylprop-2-enoic acid
SMILESC/C(=C\c1ccc(I)o1)C(=O)O
InChIInChI=1S/C8H7IO3/c1-5(8(10)11)4-6-2-3-7(9)12-6/h2-4H,1H3,(H,10,11)/b5-4+
InChIKeyBDFIFORZYDCAGL-SNAWJCMRSA-N
XLogP2.37
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-iodofuran-2-yl)-2-methylprop-2-enoic acid?
The IUPAC name of (E)-3-(5-iodofuran-2-yl)-2-methylprop-2-enoic acid (CID 170873010) is (E)-3-(5-iodofuran-2-yl)-2-methylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(5-iodofuran-2-yl)-2-methylprop-2-enoic acid?
The canonical SMILES for (E)-3-(5-iodofuran-2-yl)-2-methylprop-2-enoic acid is C/C(=C\c1ccc(I)o1)C(=O)O.
What is the InChIKey of (E)-3-(5-iodofuran-2-yl)-2-methylprop-2-enoic acid?
The InChIKey is BDFIFORZYDCAGL-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H7IO3/c1-5(8(10)11)4-6-2-3-7(9)12-6/h2-4H,1H3,(H,10,11)/b5-4+.
What are the key properties of (E)-3-(5-iodofuran-2-yl)-2-methylprop-2-enoic acid?
(E)-3-(5-iodofuran-2-yl)-2-methylprop-2-enoic acid has a molecular weight of 278.05 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-iodofuran-2-yl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 170873010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).