6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one

C13H14BrNO2 — CID 66958239

IUPAC6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESO=C1Nc2cc(Br)ccc2C12CCC(O)CC2
InChIInChI=1S/C13H14BrNO2/c14-8-1-2-10-11(7-8)15-12(17)13(10)5-3-9(16)4-6-13/h1-2,7,9,16H,3-6H2,(H,15,17)
InChIKeyHJHHUZVFVHZRCO-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.57
Rot. Bonds

About 6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one

6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one (PubChem CID 66958239) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one
PubChem CID66958239
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESO=C1Nc2cc(Br)ccc2C12CCC(O)CC2
InChIInChI=1S/C13H14BrNO2/c14-8-1-2-10-11(7-8)15-12(17)13(10)5-3-9(16)4-6-13/h1-2,7,9,16H,3-6H2,(H,15,17)
InChIKeyHJHHUZVFVHZRCO-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one?
The IUPAC name of 6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one (CID 66958239) is 6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one?
The canonical SMILES for 6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one is O=C1Nc2cc(Br)ccc2C12CCC(O)CC2.
What is the InChIKey of 6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one?
The InChIKey is HJHHUZVFVHZRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c14-8-1-2-10-11(7-8)15-12(17)13(10)5-3-9(16)4-6-13/h1-2,7,9,16H,3-6H2,(H,15,17).
What are the key properties of 6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one?
6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one has a molecular weight of 296.16 g/mol, XLogP of 2.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 66958239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).