3-(4-iodoanilino)-2H-furan-5-one

C10H8INO2 — CID 154733069

IUPAC3-(4-iodoanilino)-2H-furan-5-one
SMILESO=C1C=C(Nc2ccc(I)cc2)CO1
InChIInChI=1S/C10H8INO2/c11-7-1-3-8(4-2-7)12-9-5-10(13)14-6-9/h1-5,12H,6H2
InChIKeySHAKBIMEVUTSGW-UHFFFAOYSA-N
MW301.08 g/mol
LogP2.14
Rot. Bonds2

About 3-(4-iodoanilino)-2H-furan-5-one

3-(4-iodoanilino)-2H-furan-5-one (PubChem CID 154733069) has the molecular formula C10H8INO2 and a molecular weight of 301.08 g/mol. Its IUPAC name is 3-(4-iodoanilino)-2H-furan-5-one.

Molecular Properties

Compound Name3-(4-iodoanilino)-2H-furan-5-one
PubChem CID154733069
Molecular FormulaC10H8INO2
Molecular Weight301.08 g/mol
Exact Mass300.96
IUPAC Name3-(4-iodoanilino)-2H-furan-5-one
SMILESO=C1C=C(Nc2ccc(I)cc2)CO1
InChIInChI=1S/C10H8INO2/c11-7-1-3-8(4-2-7)12-9-5-10(13)14-6-9/h1-5,12H,6H2
InChIKeySHAKBIMEVUTSGW-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.08
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-iodoanilino)-2H-furan-5-one?
The IUPAC name of 3-(4-iodoanilino)-2H-furan-5-one (CID 154733069) is 3-(4-iodoanilino)-2H-furan-5-one.
What is the SMILES notation for 3-(4-iodoanilino)-2H-furan-5-one?
The canonical SMILES for 3-(4-iodoanilino)-2H-furan-5-one is O=C1C=C(Nc2ccc(I)cc2)CO1.
What is the InChIKey of 3-(4-iodoanilino)-2H-furan-5-one?
The InChIKey is SHAKBIMEVUTSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO2/c11-7-1-3-8(4-2-7)12-9-5-10(13)14-6-9/h1-5,12H,6H2.
What are the key properties of 3-(4-iodoanilino)-2H-furan-5-one?
3-(4-iodoanilino)-2H-furan-5-one has a molecular weight of 301.08 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodoanilino)-2H-furan-5-one is sourced from PubChem (CID 154733069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).