1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone

C13H14BrNO — CID 102662312

IUPAC1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone
SMILESC=C(Br)CN1CCc2cc(C(C)=O)ccc21
InChIInChI=1S/C13H14BrNO/c1-9(14)8-15-6-5-12-7-11(10(2)16)3-4-13(12)15/h3-4,7H,1,5-6,8H2,2H3
InChIKeyRGXQNBJXFLJHRB-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.16
Rot. Bonds3

About 1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone

1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone (PubChem CID 102662312) has the molecular formula C13H14BrNO and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone
PubChem CID102662312
Molecular FormulaC13H14BrNO
Molecular Weight280.17 g/mol
Exact Mass279.03
IUPAC Name1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone
SMILESC=C(Br)CN1CCc2cc(C(C)=O)ccc21
InChIInChI=1S/C13H14BrNO/c1-9(14)8-15-6-5-12-7-11(10(2)16)3-4-13(12)15/h3-4,7H,1,5-6,8H2,2H3
InChIKeyRGXQNBJXFLJHRB-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662516
2-(5-acetyl-2,3-dihydroindol-1-yl)-N-cyclopropylacetamide
CID 102662276
2-(5-acetyl-2,3-dihydroindol-1-yl)-N-propylacetamide
CID 102662362
1-(1-butyl-2,3-dihydroindol-5-yl)ethanone
CID 102662303
1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662471
3-(5-acetyl-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 82316589
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662248
1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662285
1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662460
1-[1-(2-methylsulfonylethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone
CID 102662170
1-[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662502

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone?
The IUPAC name of 1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone (CID 102662312) is 1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone.
What is the SMILES notation for 1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone?
The canonical SMILES for 1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone is C=C(Br)CN1CCc2cc(C(C)=O)ccc21.
What is the InChIKey of 1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone?
The InChIKey is RGXQNBJXFLJHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-9(14)8-15-6-5-12-7-11(10(2)16)3-4-13(12)15/h3-4,7H,1,5-6,8H2,2H3.
What are the key properties of 1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone?
1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone has a molecular weight of 280.17 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone is sourced from PubChem (CID 102662312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).