5-iodo-1,3,5,6-tetrahydroindol-2-one

C8H8INO — CID 89029210

IUPAC5-iodo-1,3,5,6-tetrahydroindol-2-one
SMILESO=C1CC2=CC(I)CC=C2N1
InChIInChI=1S/C8H8INO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h2-3,6H,1,4H2,(H,10,11)
InChIKeyPZJQJJSQKCWROP-UHFFFAOYSA-N
MW261.06 g/mol
LogP1.52
Rot. Bonds

About 5-iodo-1,3,5,6-tetrahydroindol-2-one

5-iodo-1,3,5,6-tetrahydroindol-2-one (PubChem CID 89029210) has the molecular formula C8H8INO and a molecular weight of 261.06 g/mol. Its IUPAC name is 5-iodo-1,3,5,6-tetrahydroindol-2-one.

Molecular Properties

Compound Name5-iodo-1,3,5,6-tetrahydroindol-2-one
PubChem CID89029210
Molecular FormulaC8H8INO
Molecular Weight261.06 g/mol
Exact Mass260.97
IUPAC Name5-iodo-1,3,5,6-tetrahydroindol-2-one
SMILESO=C1CC2=CC(I)CC=C2N1
InChIInChI=1S/C8H8INO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h2-3,6H,1,4H2,(H,10,11)
InChIKeyPZJQJJSQKCWROP-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.06
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1,3,5,6-tetrahydroindol-2-one?
The IUPAC name of 5-iodo-1,3,5,6-tetrahydroindol-2-one (CID 89029210) is 5-iodo-1,3,5,6-tetrahydroindol-2-one.
What is the SMILES notation for 5-iodo-1,3,5,6-tetrahydroindol-2-one?
The canonical SMILES for 5-iodo-1,3,5,6-tetrahydroindol-2-one is O=C1CC2=CC(I)CC=C2N1.
What is the InChIKey of 5-iodo-1,3,5,6-tetrahydroindol-2-one?
The InChIKey is PZJQJJSQKCWROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h2-3,6H,1,4H2,(H,10,11).
What are the key properties of 5-iodo-1,3,5,6-tetrahydroindol-2-one?
5-iodo-1,3,5,6-tetrahydroindol-2-one has a molecular weight of 261.06 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1,3,5,6-tetrahydroindol-2-one is sourced from PubChem (CID 89029210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).