1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one

C11H11Br2NO — CID 82490326

IUPAC1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one
SMILESCCC(=O)N1CCc2cc(Br)cc(Br)c21
InChIInChI=1S/C11H11Br2NO/c1-2-10(15)14-4-3-7-5-8(12)6-9(13)11(7)14/h5-6H,2-4H2,1H3
InChIKeyUODAYJNZPJSKFY-UHFFFAOYSA-N
MW333.02 g/mol
LogP3.51
Rot. Bonds1

About 1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one

1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 82490326) has the molecular formula C11H11Br2NO and a molecular weight of 333.02 g/mol. Its IUPAC name is 1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID82490326
Molecular FormulaC11H11Br2NO
Molecular Weight333.02 g/mol
Exact Mass330.92
IUPAC Name1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one
SMILESCCC(=O)N1CCc2cc(Br)cc(Br)c21
InChIInChI=1S/C11H11Br2NO/c1-2-10(15)14-4-3-7-5-8(12)6-9(13)11(7)14/h5-6H,2-4H2,1H3
InChIKeyUODAYJNZPJSKFY-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.02
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 82490244
5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 3237215
1-[5-bromo-7-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 4276095
5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 2052773
5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 4290748
1-[5-bromo-7-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 3324791
2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone
CID 82489732
1-[7-(4-benzylpiperidin-1-yl)sulfonyl-5-bromo-2,3-dihydroindol-1-yl]propan-1-one
CID 22422219
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide
CID 15987966
1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 4225977
1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone
CID 82379295

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one (CID 82490326) is 1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one is CCC(=O)N1CCc2cc(Br)cc(Br)c21.
What is the InChIKey of 1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is UODAYJNZPJSKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO/c1-2-10(15)14-4-3-7-5-8(12)6-9(13)11(7)14/h5-6H,2-4H2,1H3.
What are the key properties of 1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one?
1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 333.02 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 82490326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).