1-iodo-3-methyl-2,3-dihydroindole

C9H10IN — CID 89186516

IUPAC1-iodo-3-methyl-2,3-dihydroindole
SMILESCC1CN(I)c2ccccc21
InChIInChI=1S/C9H10IN/c1-7-6-11(10)9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3
InChIKeyPSKYFVHGUZOPQY-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.96
Rot. Bonds

About 1-iodo-3-methyl-2,3-dihydroindole

1-iodo-3-methyl-2,3-dihydroindole (PubChem CID 89186516) has the molecular formula C9H10IN and a molecular weight of 259.09 g/mol. Its IUPAC name is 1-iodo-3-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-iodo-3-methyl-2,3-dihydroindole
PubChem CID89186516
Molecular FormulaC9H10IN
Molecular Weight259.09 g/mol
Exact Mass258.99
IUPAC Name1-iodo-3-methyl-2,3-dihydroindole
SMILESCC1CN(I)c2ccccc21
InChIInChI=1S/C9H10IN/c1-7-6-11(10)9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3
InChIKeyPSKYFVHGUZOPQY-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-methyl-2,3-dihydroindole?
The IUPAC name of 1-iodo-3-methyl-2,3-dihydroindole (CID 89186516) is 1-iodo-3-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-iodo-3-methyl-2,3-dihydroindole?
The canonical SMILES for 1-iodo-3-methyl-2,3-dihydroindole is CC1CN(I)c2ccccc21.
What is the InChIKey of 1-iodo-3-methyl-2,3-dihydroindole?
The InChIKey is PSKYFVHGUZOPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN/c1-7-6-11(10)9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3.
What are the key properties of 1-iodo-3-methyl-2,3-dihydroindole?
1-iodo-3-methyl-2,3-dihydroindole has a molecular weight of 259.09 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-methyl-2,3-dihydroindole is sourced from PubChem (CID 89186516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).