1-(5-bromo-1-ethylindol-3-yl)propan-2-one

C13H14BrNO — CID 117195591

IUPAC1-(5-bromo-1-ethylindol-3-yl)propan-2-one
SMILESCCn1cc(CC(C)=O)c2cc(Br)ccc21
InChIInChI=1S/C13H14BrNO/c1-3-15-8-10(6-9(2)16)12-7-11(14)4-5-13(12)15/h4-5,7-8H,3,6H2,1-2H3
InChIKeyKZRKYDHJZDMFNJ-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.56
Rot. Bonds3

About 1-(5-bromo-1-ethylindol-3-yl)propan-2-one

1-(5-bromo-1-ethylindol-3-yl)propan-2-one (PubChem CID 117195591) has the molecular formula C13H14BrNO and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-(5-bromo-1-ethylindol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-bromo-1-ethylindol-3-yl)propan-2-one
PubChem CID117195591
Molecular FormulaC13H14BrNO
Molecular Weight280.17 g/mol
Exact Mass279.03
IUPAC Name1-(5-bromo-1-ethylindol-3-yl)propan-2-one
SMILESCCn1cc(CC(C)=O)c2cc(Br)ccc21
InChIInChI=1S/C13H14BrNO/c1-3-15-8-10(6-9(2)16)12-7-11(14)4-5-13(12)15/h4-5,7-8H,3,6H2,1-2H3
InChIKeyKZRKYDHJZDMFNJ-UHFFFAOYSA-N
XLogP3.56
TPSA22.00 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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-ethyl-3-(methylsulfonylmethyl)indole
CID 117175523
2-(5-bromo-1-ethylindol-3-yl)-2-methylpropanoic acid
CID 117121080
methyl 2-[5-bromo-1-(3-hydroxypropyl)indol-3-yl]acetate
CID 83946749
1-(7-bromo-1-ethylindol-3-yl)propan-2-one
CID 117197654
(5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone
CID 15312697
3-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122264
3-[5-bromo-3-(hydroxymethyl)indol-1-yl]propanoic acid
CID 83971027
2-[5-bromo-1-[(4-phenylphenyl)methyl]indol-3-yl]acetic acid
CID 25106855
3-(5-bromo-1-propylindol-3-yl)propan-1-ol
CID 83946739
2-[5-bromo-3-(3-hydroxypropyl)indol-1-yl]acetic acid
CID 83946733
1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone
CID 83948117
2-(3-acetyl-5-bromoindol-1-yl)acetic acid
CID 83948120

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-ethylindol-3-yl)propan-2-one?
The IUPAC name of 1-(5-bromo-1-ethylindol-3-yl)propan-2-one (CID 117195591) is 1-(5-bromo-1-ethylindol-3-yl)propan-2-one.
What is the SMILES notation for 1-(5-bromo-1-ethylindol-3-yl)propan-2-one?
The canonical SMILES for 1-(5-bromo-1-ethylindol-3-yl)propan-2-one is CCn1cc(CC(C)=O)c2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-1-ethylindol-3-yl)propan-2-one?
The InChIKey is KZRKYDHJZDMFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-3-15-8-10(6-9(2)16)12-7-11(14)4-5-13(12)15/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 1-(5-bromo-1-ethylindol-3-yl)propan-2-one?
1-(5-bromo-1-ethylindol-3-yl)propan-2-one has a molecular weight of 280.17 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-ethylindol-3-yl)propan-2-one is sourced from PubChem (CID 117195591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).