1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone

C14H14BrNO — CID 103162463

IUPAC1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone
SMILESO=C(CC1CCC1)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C14H14BrNO/c15-10-4-5-11-12(8-16-13(11)7-10)14(17)6-9-2-1-3-9/h4-5,7-9,16H,1-3,6H2
InChIKeyXUFMLDPJORAMDK-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.30
Rot. Bonds3

About 1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone

1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone (PubChem CID 103162463) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone.

Molecular Properties

Compound Name1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone
PubChem CID103162463
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone
SMILESO=C(CC1CCC1)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C14H14BrNO/c15-10-4-5-11-12(8-16-13(11)7-10)14(17)6-9-2-1-3-9/h4-5,7-9,16H,1-3,6H2
InChIKeyXUFMLDPJORAMDK-UHFFFAOYSA-N
XLogP4.30
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone?
The IUPAC name of 1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone (CID 103162463) is 1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone.
What is the SMILES notation for 1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone?
The canonical SMILES for 1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone is O=C(CC1CCC1)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone?
The InChIKey is XUFMLDPJORAMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c15-10-4-5-11-12(8-16-13(11)7-10)14(17)6-9-2-1-3-9/h4-5,7-9,16H,1-3,6H2.
What are the key properties of 1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone?
1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone has a molecular weight of 292.18 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone is sourced from PubChem (CID 103162463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).