6-iodo-1H-benzo[cd]indol-2-one

C11H6INO — CID 626440

IUPAC6-iodo-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2ccc(I)c3cccc1c23
InChIInChI=1S/C11H6INO/c12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9/h1-5H,(H,13,14)
InChIKeyNKMXUJUVJKYTDJ-UHFFFAOYSA-N
MW295.08 g/mol
LogP3.01
Rot. Bonds

About 6-iodo-1H-benzo[cd]indol-2-one

6-iodo-1H-benzo[cd]indol-2-one (PubChem CID 626440) has the molecular formula C11H6INO and a molecular weight of 295.08 g/mol. Its IUPAC name is 6-iodo-1H-benzo[cd]indol-2-one.

Molecular Properties

Compound Name6-iodo-1H-benzo[cd]indol-2-one
PubChem CID626440
Molecular FormulaC11H6INO
Molecular Weight295.08 g/mol
Exact Mass294.95
IUPAC Name6-iodo-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2ccc(I)c3cccc1c23
InChIInChI=1S/C11H6INO/c12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9/h1-5H,(H,13,14)
InChIKeyNKMXUJUVJKYTDJ-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-iodo-1H-benzo[cd]indol-2-one 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 6-iodo-1H-benzo[cd]indol-2-one?
The IUPAC name of 6-iodo-1H-benzo[cd]indol-2-one (CID 626440) is 6-iodo-1H-benzo[cd]indol-2-one.
What is the SMILES notation for 6-iodo-1H-benzo[cd]indol-2-one?
The canonical SMILES for 6-iodo-1H-benzo[cd]indol-2-one is O=C1Nc2ccc(I)c3cccc1c23.
What is the InChIKey of 6-iodo-1H-benzo[cd]indol-2-one?
The InChIKey is NKMXUJUVJKYTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6INO/c12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9/h1-5H,(H,13,14).
What are the key properties of 6-iodo-1H-benzo[cd]indol-2-one?
6-iodo-1H-benzo[cd]indol-2-one has a molecular weight of 295.08 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-1H-benzo[cd]indol-2-one is sourced from PubChem (CID 626440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).