1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one

C13H14BrNO2 — CID 43164765

IUPAC1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one
SMILESCCC(=O)c1cc2c(cc1Br)CCN2C(C)=O
InChIInChI=1S/C13H14BrNO2/c1-3-13(17)10-7-12-9(6-11(10)14)4-5-15(12)8(2)16/h6-7H,3-5H2,1-2H3
InChIKeyPIYQCTNNHHIALE-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.95
Rot. Bonds2

About 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one

1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one (PubChem CID 43164765) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one
PubChem CID43164765
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one
SMILESCCC(=O)c1cc2c(cc1Br)CCN2C(C)=O
InChIInChI=1S/C13H14BrNO2/c1-3-13(17)10-7-12-9(6-11(10)14)4-5-15(12)8(2)16/h6-7H,3-5H2,1-2H3
InChIKeyPIYQCTNNHHIALE-UHFFFAOYSA-N
XLogP2.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-3-methylpentan-1-one
CID 114874017
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one
CID 83154759
1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde
CID 60758043
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
CID 55151149
(1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite
CID 145018684
N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide
CID 118906182
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-(6-isocyano-2,3-dihydroindol-1-yl)ethanone
CID 59468783
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride
CID 161326108
1-[6-bromo-7-(chloromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 43164780
1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone
CID 178096572

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one?
The IUPAC name of 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one (CID 43164765) is 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one.
What is the SMILES notation for 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one?
The canonical SMILES for 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one is CCC(=O)c1cc2c(cc1Br)CCN2C(C)=O.
What is the InChIKey of 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one?
The InChIKey is PIYQCTNNHHIALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-3-13(17)10-7-12-9(6-11(10)14)4-5-15(12)8(2)16/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one?
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one has a molecular weight of 296.16 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one is sourced from PubChem (CID 43164765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).