2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one

C13H17BrN2O — CID 119280348

IUPAC2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCc2cc(Br)ccc21
InChIInChI=1S/C13H17BrN2O/c1-2-3-11(15)13(17)16-7-6-9-8-10(14)4-5-12(9)16/h4-5,8,11H,2-3,6-7,15H2,1H3
InChIKeyHLHUZDMVINOBHM-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.47
Rot. Bonds3

About 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one

2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one (PubChem CID 119280348) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one
PubChem CID119280348
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCc2cc(Br)ccc21
InChIInChI=1S/C13H17BrN2O/c1-2-3-11(15)13(17)16-7-6-9-8-10(14)4-5-12(9)16/h4-5,8,11H,2-3,6-7,15H2,1H3
InChIKeyHLHUZDMVINOBHM-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride
CID 119313316
(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
CID 119280335
1-(2-aminopentanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157588
(2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 107569298
2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one
CID 119706877
1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119334262
2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one
CID 119785536
1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157599
(2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide
CID 107568450
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one
CID 119310085
1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one
CID 142480057
4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride
CID 119280353

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one (CID 119280348) is 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one is CCCC(N)C(=O)N1CCc2cc(Br)ccc21.
What is the InChIKey of 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one?
The InChIKey is HLHUZDMVINOBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-2-3-11(15)13(17)16-7-6-9-8-10(14)4-5-12(9)16/h4-5,8,11H,2-3,6-7,15H2,1H3.
What are the key properties of 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one?
2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one has a molecular weight of 297.20 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one is sourced from PubChem (CID 119280348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).