1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone

C11H12INO — CID 178096572

IUPAC1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(I)c(C)cc21
InChIInChI=1S/C11H12INO/c1-7-5-11-9(6-10(7)12)3-4-13(11)8(2)14/h5-6H,3-4H2,1-2H3
InChIKeyRGTBAYBHKXTEMX-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.51
Rot. Bonds

About 1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone

1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 178096572) has the molecular formula C11H12INO and a molecular weight of 301.13 g/mol. Its IUPAC name is 1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID178096572
Molecular FormulaC11H12INO
Molecular Weight301.13 g/mol
Exact Mass301.00
IUPAC Name1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(I)c(C)cc21
InChIInChI=1S/C11H12INO/c1-7-5-11-9(6-10(7)12)3-4-13(11)8(2)14/h5-6H,3-4H2,1-2H3
InChIKeyRGTBAYBHKXTEMX-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(6-hydroxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 14338804
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
(1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite
CID 145018684
1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde
CID 60758043
1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 59468850
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
CID 55151149
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one
CID 43164765
1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone
CID 54513861
1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone
CID 14059145
6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
CID 10595858
1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone
CID 22711826

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone (CID 178096572) is 1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2cc(I)c(C)cc21.
What is the InChIKey of 1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is RGTBAYBHKXTEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO/c1-7-5-11-9(6-10(7)12)3-4-13(11)8(2)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone?
1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 301.13 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 178096572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).