7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride

C15H22BrClN2O — CID 119706831

IUPAC7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride
SMILESCl.NCCCCCCC(=O)N1CCc2cc(Br)ccc21
InChIInChI=1S/C15H21BrN2O.ClH/c16-13-6-7-14-12(11-13)8-10-18(14)15(19)5-3-1-2-4-9-17;/h6-7,11H,1-5,8-10,17H2;1H
InChIKeyMPZIVOCDNZBCQG-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.67
Rot. Bonds6

About 7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride

7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride (PubChem CID 119706831) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride.

Molecular Properties

Compound Name7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride
PubChem CID119706831
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride
SMILESCl.NCCCCCCC(=O)N1CCc2cc(Br)ccc21
InChIInChI=1S/C15H21BrN2O.ClH/c16-13-6-7-14-12(11-13)8-10-18(14)15(19)5-3-1-2-4-9-17;/h6-7,11H,1-5,8-10,17H2;1H
InChIKeyMPZIVOCDNZBCQG-UHFFFAOYSA-N
XLogP3.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride
CID 119280353
1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one
CID 142480057
7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
CID 119783373
4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82340972
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride
CID 119286836
(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
CID 119280335
7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide
CID 119769035
7-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one;dihydrochloride
CID 119899696
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
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

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride?
The IUPAC name of 7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride (CID 119706831) is 7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride.
What is the SMILES notation for 7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride?
The canonical SMILES for 7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride is Cl.NCCCCCCC(=O)N1CCc2cc(Br)ccc21.
What is the InChIKey of 7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride?
The InChIKey is MPZIVOCDNZBCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O.ClH/c16-13-6-7-14-12(11-13)8-10-18(14)15(19)5-3-1-2-4-9-17;/h6-7,11H,1-5,8-10,17H2;1H.
What are the key properties of 7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride?
7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride has a molecular weight of 361.71 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride is sourced from PubChem (CID 119706831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).