6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one

C14H16BrNO — CID 83853500

IUPAC6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Br)ccc2C1C1CCCCC1
InChIInChI=1S/C14H16BrNO/c15-10-6-7-11-12(8-10)16-14(17)13(11)9-4-2-1-3-5-9/h6-9,13H,1-5H2,(H,16,17)
InChIKeyUWUMKHFZALAANZ-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.07
Rot. Bonds1

About 6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one

6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one (PubChem CID 83853500) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one
PubChem CID83853500
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Br)ccc2C1C1CCCCC1
InChIInChI=1S/C14H16BrNO/c15-10-6-7-11-12(8-10)16-14(17)13(11)9-4-2-1-3-5-9/h6-9,13H,1-5H2,(H,16,17)
InChIKeyUWUMKHFZALAANZ-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one?
The IUPAC name of 6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one (CID 83853500) is 6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one?
The canonical SMILES for 6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one is O=C1Nc2cc(Br)ccc2C1C1CCCCC1.
What is the InChIKey of 6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one?
The InChIKey is UWUMKHFZALAANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c15-10-6-7-11-12(8-10)16-14(17)13(11)9-4-2-1-3-5-9/h6-9,13H,1-5H2,(H,16,17).
What are the key properties of 6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one?
6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one has a molecular weight of 294.19 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 83853500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).