4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride

C12H16BrClN2O — CID 119280353

IUPAC4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride
SMILESCl.NCCCC(=O)N1CCc2cc(Br)ccc21
InChIInChI=1S/C12H15BrN2O.ClH/c13-10-3-4-11-9(8-10)5-7-15(11)12(16)2-1-6-14;/h3-4,8H,1-2,5-7,14H2;1H
InChIKeyPTJMEOLJIPQMJK-UHFFFAOYSA-N
MW319.63 g/mol
LogP2.50
Rot. Bonds3

About 4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride

4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride (PubChem CID 119280353) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride
PubChem CID119280353
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride
SMILESCl.NCCCC(=O)N1CCc2cc(Br)ccc21
InChIInChI=1S/C12H15BrN2O.ClH/c13-10-3-4-11-9(8-10)5-7-15(11)12(16)2-1-6-14;/h3-4,8H,1-2,5-7,14H2;1H
InChIKeyPTJMEOLJIPQMJK-UHFFFAOYSA-N
XLogP2.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride
CID 119706831
1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one
CID 142480057
4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82340972
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride
CID 119286836
4-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butan-1-one;hydrochloride
CID 119294298
(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
CID 119280335
1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82340988
3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one
CID 119310127
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 167922199

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride (CID 119280353) is 4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride is Cl.NCCCC(=O)N1CCc2cc(Br)ccc21.
What is the InChIKey of 4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride?
The InChIKey is PTJMEOLJIPQMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O.ClH/c13-10-3-4-11-9(8-10)5-7-15(11)12(16)2-1-6-14;/h3-4,8H,1-2,5-7,14H2;1H.
What are the key properties of 4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride?
4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride has a molecular weight of 319.63 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 119280353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).