2,3-dihydroindol-1-yl iodate

C8H8INO3 — CID 141076432

IUPAC2,3-dihydroindol-1-yl iodate
SMILES[O-][I+2]([O-])ON1CCc2ccccc21
InChIInChI=1S/C8H8INO3/c11-9(12)13-10-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChIKeyVEXIWHGSYFHVEF-UHFFFAOYSA-N
MW293.06 g/mol
LogP-3.93
Rot. Bonds2

About 2,3-dihydroindol-1-yl iodate

2,3-dihydroindol-1-yl iodate (PubChem CID 141076432) has the molecular formula C8H8INO3 and a molecular weight of 293.06 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl iodate.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl iodate
PubChem CID141076432
Molecular FormulaC8H8INO3
Molecular Weight293.06 g/mol
Exact Mass292.95
IUPAC Name2,3-dihydroindol-1-yl iodate
SMILES[O-][I+2]([O-])ON1CCc2ccccc21
InChIInChI=1S/C8H8INO3/c11-9(12)13-10-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChIKeyVEXIWHGSYFHVEF-UHFFFAOYSA-N
XLogP-3.93
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 5-3.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroindol-1-ylsilane
CID 149251229
1-methoxy-2,3,4,5-tetrahydro-1-benzazepine
CID 154059825
2,3-dihydroindol-1-amine;dihydrochloride
CID 172716948
2,3-dihydroindol-1-yl 3H-benzimidazole-5-sulfonate
CID 141002200
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
1-oxido-3,4-dihydro-2H-quinoline
CID 18542548
1,2-dimethyl-3,4-dihydrocinnoline
CID 54095235
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane
CID 20650007
5,6-dihydrobenzo[b][1]benzazepine-11-carbonitrile
CID 11160338
2-ethoxy-1-methyl-3,4-dihydrocinnoline
CID 68627296
2-(2,3-dihydroindol-1-yl)acetate
CID 6935608

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl iodate?
The IUPAC name of 2,3-dihydroindol-1-yl iodate (CID 141076432) is 2,3-dihydroindol-1-yl iodate.
What is the SMILES notation for 2,3-dihydroindol-1-yl iodate?
The canonical SMILES for 2,3-dihydroindol-1-yl iodate is [O-][I+2]([O-])ON1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl iodate?
The InChIKey is VEXIWHGSYFHVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO3/c11-9(12)13-10-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2.
What are the key properties of 2,3-dihydroindol-1-yl iodate?
2,3-dihydroindol-1-yl iodate has a molecular weight of 293.06 g/mol, XLogP of -3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl iodate is sourced from PubChem (CID 141076432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).