1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one

C17H24BrNO — CID 82259566

IUPAC1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCc2cc(CC(C)(C)Br)ccc21
InChIInChI=1S/C17H24BrNO/c1-4-5-6-16(20)19-10-9-14-11-13(7-8-15(14)19)12-17(2,3)18/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyJYMYDXQNGREHFW-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.48
Rot. Bonds5

About 1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one

1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one (PubChem CID 82259566) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one
PubChem CID82259566
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCc2cc(CC(C)(C)Br)ccc21
InChIInChI=1S/C17H24BrNO/c1-4-5-6-16(20)19-10-9-14-11-13(7-8-15(14)19)12-17(2,3)18/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyJYMYDXQNGREHFW-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
1-[5-(2-bromo-2-methylpropanoyl)-2,3-dihydroindol-1-yl]pentan-1-one
CID 82258935
1-[6-(2-bromo-2-methylpropyl)-3,4-dihydro-2H-quinolin-1-yl]-3-cyclohexylpropan-1-one
CID 82259604
1-[6-(2-bromo-2-methylpropanoyl)-3,4-dihydro-2H-quinolin-1-yl]pentan-1-one
CID 82258964
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid
CID 82260327
2-bromo-3-methyl-1-(1-pentanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82258864
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82260070
1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one?
The IUPAC name of 1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one (CID 82259566) is 1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one.
What is the SMILES notation for 1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one?
The canonical SMILES for 1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one is CCCCC(=O)N1CCc2cc(CC(C)(C)Br)ccc21.
What is the InChIKey of 1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one?
The InChIKey is JYMYDXQNGREHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-4-5-6-16(20)19-10-9-14-11-13(7-8-15(14)19)12-17(2,3)18/h7-8,11H,4-6,9-10,12H2,1-3H3.
What are the key properties of 1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one?
1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one has a molecular weight of 338.29 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one is sourced from PubChem (CID 82259566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).