7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one

C13H16BrNO — CID 106986727

IUPAC7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one
SMILESCCC(CC)C1C(=O)Nc2c(Br)cccc21
InChIInChI=1S/C13H16BrNO/c1-3-8(4-2)11-9-6-5-7-10(14)12(9)15-13(11)16/h5-8,11H,3-4H2,1-2H3,(H,15,16)
InChIKeyFZOKJVBSATVZAF-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.92
Rot. Bonds3

About 7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one

7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one (PubChem CID 106986727) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one
PubChem CID106986727
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one
SMILESCCC(CC)C1C(=O)Nc2c(Br)cccc21
InChIInChI=1S/C13H16BrNO/c1-3-8(4-2)11-9-6-5-7-10(14)12(9)15-13(11)16/h5-8,11H,3-4H2,1-2H3,(H,15,16)
InChIKeyFZOKJVBSATVZAF-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one
CID 106986723
7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one
CID 171783469
3-(1-adamantyl)-7-bromo-1,3-dihydroindol-2-one
CID 106986661
5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 84635535
8-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 71295703
8-bromo-2-ethyl-2,3,4-trimethyl-3,4-dihydro-1H-quinoline
CID 117193938
8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 84635515
(3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 98160364
3-(4-methylpentan-2-yl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one
CID 106986664
diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate
CID 11460508
7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986374
7-fluoro-3-octyl-1,3-dihydroindol-2-one
CID 106820157

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one?
The IUPAC name of 7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one (CID 106986727) is 7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one is CCC(CC)C1C(=O)Nc2c(Br)cccc21.
What is the InChIKey of 7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one?
The InChIKey is FZOKJVBSATVZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-3-8(4-2)11-9-6-5-7-10(14)12(9)15-13(11)16/h5-8,11H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one?
7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one has a molecular weight of 282.18 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).