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

C11H12BrNO2 — CID 142480057

IUPAC1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one
SMILESO=C(CCO)N1CCc2cc(Br)ccc21
InChIInChI=1S/C11H12BrNO2/c12-9-1-2-10-8(7-9)3-5-13(10)11(15)4-6-14/h1-2,7,14H,3-6H2
InChIKeyQTEHDWBKMKUVSY-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.72
Rot. Bonds2

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

1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one (PubChem CID 142480057) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one
PubChem CID142480057
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one
SMILESO=C(CCO)N1CCc2cc(Br)ccc21
InChIInChI=1S/C11H12BrNO2/c12-9-1-2-10-8(7-9)3-5-13(10)11(15)4-6-14/h1-2,7,14H,3-6H2
InChIKeyQTEHDWBKMKUVSY-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride
CID 119280353
7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride
CID 119706831
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-hydroxypropan-1-one
CID 142479905
(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
CID 119280335
2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one
CID 119280348
2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one
CID 119706877
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
(5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 47444598
(5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone
CID 47444577
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
5-bromo-2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 30429389
4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 100794106

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one?
The IUPAC name of 1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one (CID 142480057) is 1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one.
What is the SMILES notation for 1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one?
The canonical SMILES for 1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one is O=C(CCO)N1CCc2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one?
The InChIKey is QTEHDWBKMKUVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-9-1-2-10-8(7-9)3-5-13(10)11(15)4-6-14/h1-2,7,14H,3-6H2.
What are the key properties of 1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one?
1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one has a molecular weight of 270.13 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one is sourced from PubChem (CID 142480057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).