(2R)-1-iodo-2-methyl-2,3-dihydroindole

C9H10IN — CID 142057461

IUPAC(2R)-1-iodo-2-methyl-2,3-dihydroindole
SMILESC[C@@H]1Cc2ccccc2N1I
InChIInChI=1S/C9H10IN/c1-7-6-8-4-2-3-5-9(8)11(7)10/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyAHYYDKKFBWESQO-SSDOTTSWSA-N
MW259.09 g/mol
LogP2.79
Rot. Bonds

About (2R)-1-iodo-2-methyl-2,3-dihydroindole

(2R)-1-iodo-2-methyl-2,3-dihydroindole (PubChem CID 142057461) has the molecular formula C9H10IN and a molecular weight of 259.09 g/mol. Its IUPAC name is (2R)-1-iodo-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2R)-1-iodo-2-methyl-2,3-dihydroindole
PubChem CID142057461
Molecular FormulaC9H10IN
Molecular Weight259.09 g/mol
Exact Mass258.99
IUPAC Name(2R)-1-iodo-2-methyl-2,3-dihydroindole
SMILESC[C@@H]1Cc2ccccc2N1I
InChIInChI=1S/C9H10IN/c1-7-6-8-4-2-3-5-9(8)11(7)10/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyAHYYDKKFBWESQO-SSDOTTSWSA-N
XLogP2.79
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 ≤ 52.79
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

(2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde
CID 141029511
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
(2-methyl-2,3-dihydroindol-1-yl)-tri(propan-2-yl)silane
CID 11430220
1-cyclohexyl-2-methyl-2,3-dihydroindole
CID 54011888
2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole
CID 20685477
2-iodo-1-methyl-2,3-dihydroindole
CID 143057864
CID 174545323
CID 174545323
2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-2-ol
CID 54242402
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7764901
N-methyl-1-[4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 62423502

Frequently Asked Questions

What is the IUPAC name of (2R)-1-iodo-2-methyl-2,3-dihydroindole?
The IUPAC name of (2R)-1-iodo-2-methyl-2,3-dihydroindole (CID 142057461) is (2R)-1-iodo-2-methyl-2,3-dihydroindole.
What is the SMILES notation for (2R)-1-iodo-2-methyl-2,3-dihydroindole?
The canonical SMILES for (2R)-1-iodo-2-methyl-2,3-dihydroindole is C[C@@H]1Cc2ccccc2N1I.
What is the InChIKey of (2R)-1-iodo-2-methyl-2,3-dihydroindole?
The InChIKey is AHYYDKKFBWESQO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10IN/c1-7-6-8-4-2-3-5-9(8)11(7)10/h2-5,7H,6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-iodo-2-methyl-2,3-dihydroindole?
(2R)-1-iodo-2-methyl-2,3-dihydroindole has a molecular weight of 259.09 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-iodo-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 142057461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).