1-iodo-5-methyl-2,3-dihydroindole

C9H10IN — CID 134548249

IUPAC1-iodo-5-methyl-2,3-dihydroindole
SMILESCc1ccc2c(c1)CCN2I
InChIInChI=1S/C9H10IN/c1-7-2-3-9-8(6-7)4-5-11(9)10/h2-3,6H,4-5H2,1H3
InChIKeyHMUFILYAOIOHKS-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.71
Rot. Bonds

About 1-iodo-5-methyl-2,3-dihydroindole

1-iodo-5-methyl-2,3-dihydroindole (PubChem CID 134548249) has the molecular formula C9H10IN and a molecular weight of 259.09 g/mol. Its IUPAC name is 1-iodo-5-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-iodo-5-methyl-2,3-dihydroindole
PubChem CID134548249
Molecular FormulaC9H10IN
Molecular Weight259.09 g/mol
Exact Mass258.99
IUPAC Name1-iodo-5-methyl-2,3-dihydroindole
SMILESCc1ccc2c(c1)CCN2I
InChIInChI=1S/C9H10IN/c1-7-2-3-9-8(6-7)4-5-11(9)10/h2-3,6H,4-5H2,1H3
InChIKeyHMUFILYAOIOHKS-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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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Related Compounds

1-chloro-5-methyl-2,3-dihydroindole
CID 54202425
1,2,6-trimethyl-3,4-dihydrocinnoline
CID 58095805
1,6-dimethyl-2,3-dihydroindole
CID 59833304
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
3-methyl-11-(2-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 59572810
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 59572240
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
1,2,6-trimethyl-3,4-dihydro-2H-quinoline
CID 142003653
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907

Frequently Asked Questions

What is the IUPAC name of 1-iodo-5-methyl-2,3-dihydroindole?
The IUPAC name of 1-iodo-5-methyl-2,3-dihydroindole (CID 134548249) is 1-iodo-5-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-iodo-5-methyl-2,3-dihydroindole?
The canonical SMILES for 1-iodo-5-methyl-2,3-dihydroindole is Cc1ccc2c(c1)CCN2I.
What is the InChIKey of 1-iodo-5-methyl-2,3-dihydroindole?
The InChIKey is HMUFILYAOIOHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN/c1-7-2-3-9-8(6-7)4-5-11(9)10/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-iodo-5-methyl-2,3-dihydroindole?
1-iodo-5-methyl-2,3-dihydroindole has a molecular weight of 259.09 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-5-methyl-2,3-dihydroindole is sourced from PubChem (CID 134548249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).