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

C16H18BrNO2 — CID 83154759

IUPAC1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one
SMILESCC(=O)N1CCc2cc(Br)c(C(=O)C(C)C3CC3)cc21
InChIInChI=1S/C16H18BrNO2/c1-9(11-3-4-11)16(20)13-8-15-12(7-14(13)17)5-6-18(15)10(2)19/h7-9,11H,3-6H2,1-2H3
InChIKeyRPMYGGYBCYRALG-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.59
Rot. Bonds3

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

1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one (PubChem CID 83154759) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one
PubChem CID83154759
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one
SMILESCC(=O)N1CCc2cc(Br)c(C(=O)C(C)C3CC3)cc21
InChIInChI=1S/C16H18BrNO2/c1-9(11-3-4-11)16(20)13-8-15-12(7-14(13)17)5-6-18(15)10(2)19/h7-9,11H,3-6H2,1-2H3
InChIKeyRPMYGGYBCYRALG-UHFFFAOYSA-N
XLogP3.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one
CID 43164765
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-3-methylpentan-1-one
CID 114874017
1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde
CID 60758043
(1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite
CID 145018684
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
CID 55151149
1-[6-bromo-7-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 64868528
1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-yl]ethanone
CID 22711876
N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide
CID 118906182
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
1-[6-bromo-5-(difluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;1-(6-bromo-5-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 67591513

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one?
The IUPAC name of 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one (CID 83154759) is 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one.
What is the SMILES notation for 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one?
The canonical SMILES for 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one is CC(=O)N1CCc2cc(Br)c(C(=O)C(C)C3CC3)cc21.
What is the InChIKey of 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one?
The InChIKey is RPMYGGYBCYRALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-9(11-3-4-11)16(20)13-8-15-12(7-14(13)17)5-6-18(15)10(2)19/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one?
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one has a molecular weight of 336.23 g/mol, XLogP of 3.59, 3 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)-2-cyclopropylpropan-1-one is sourced from PubChem (CID 83154759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).