9-iodo-8,9-dihydrodibenzofuran-3-amine

C12H10INO — CID 130240609

IUPAC9-iodo-8,9-dihydrodibenzofuran-3-amine
SMILESNc1ccc2c3c(oc2c1)C=CCC3I
InChIInChI=1S/C12H10INO/c13-9-2-1-3-10-12(9)8-5-4-7(14)6-11(8)15-10/h1,3-6,9H,2,14H2
InChIKeyIZKNKCUSVJNLBB-UHFFFAOYSA-N
MW311.12 g/mol
LogP3.91
Rot. Bonds

About 9-iodo-8,9-dihydrodibenzofuran-3-amine

9-iodo-8,9-dihydrodibenzofuran-3-amine (PubChem CID 130240609) has the molecular formula C12H10INO and a molecular weight of 311.12 g/mol. Its IUPAC name is 9-iodo-8,9-dihydrodibenzofuran-3-amine.

Molecular Properties

Compound Name9-iodo-8,9-dihydrodibenzofuran-3-amine
PubChem CID130240609
Molecular FormulaC12H10INO
Molecular Weight311.12 g/mol
Exact Mass310.98
IUPAC Name9-iodo-8,9-dihydrodibenzofuran-3-amine
SMILESNc1ccc2c3c(oc2c1)C=CCC3I
InChIInChI=1S/C12H10INO/c13-9-2-1-3-10-12(9)8-5-4-7(14)6-11(8)15-10/h1,3-6,9H,2,14H2
InChIKeyIZKNKCUSVJNLBB-UHFFFAOYSA-N
XLogP3.91
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-iodo-8,9-dihydrodibenzofuran-3-amine?
The IUPAC name of 9-iodo-8,9-dihydrodibenzofuran-3-amine (CID 130240609) is 9-iodo-8,9-dihydrodibenzofuran-3-amine.
What is the SMILES notation for 9-iodo-8,9-dihydrodibenzofuran-3-amine?
The canonical SMILES for 9-iodo-8,9-dihydrodibenzofuran-3-amine is Nc1ccc2c3c(oc2c1)C=CCC3I.
What is the InChIKey of 9-iodo-8,9-dihydrodibenzofuran-3-amine?
The InChIKey is IZKNKCUSVJNLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO/c13-9-2-1-3-10-12(9)8-5-4-7(14)6-11(8)15-10/h1,3-6,9H,2,14H2.
What are the key properties of 9-iodo-8,9-dihydrodibenzofuran-3-amine?
9-iodo-8,9-dihydrodibenzofuran-3-amine has a molecular weight of 311.12 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-8,9-dihydrodibenzofuran-3-amine is sourced from PubChem (CID 130240609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).