6-bromo-1-(cyclobutylmethyl)indole-2,3-dione

C13H12BrNO2 — CID 65459439

IUPAC6-bromo-1-(cyclobutylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2CCC2)c2cc(Br)ccc21
InChIInChI=1S/C13H12BrNO2/c14-9-4-5-10-11(6-9)15(13(17)12(10)16)7-8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeySHTOGBFDIXERSX-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.78
Rot. Bonds2

About 6-bromo-1-(cyclobutylmethyl)indole-2,3-dione

6-bromo-1-(cyclobutylmethyl)indole-2,3-dione (PubChem CID 65459439) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 6-bromo-1-(cyclobutylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name6-bromo-1-(cyclobutylmethyl)indole-2,3-dione
PubChem CID65459439
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name6-bromo-1-(cyclobutylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2CCC2)c2cc(Br)ccc21
InChIInChI=1S/C13H12BrNO2/c14-9-4-5-10-11(6-9)15(13(17)12(10)16)7-8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeySHTOGBFDIXERSX-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 6-bromo-1-(cyclobutylmethyl)indole-2,3-dione 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-1-(cyclobutylmethyl)indole-2,3-dione?
The IUPAC name of 6-bromo-1-(cyclobutylmethyl)indole-2,3-dione (CID 65459439) is 6-bromo-1-(cyclobutylmethyl)indole-2,3-dione.
What is the SMILES notation for 6-bromo-1-(cyclobutylmethyl)indole-2,3-dione?
The canonical SMILES for 6-bromo-1-(cyclobutylmethyl)indole-2,3-dione is O=C1C(=O)N(CC2CCC2)c2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1-(cyclobutylmethyl)indole-2,3-dione?
The InChIKey is SHTOGBFDIXERSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c14-9-4-5-10-11(6-9)15(13(17)12(10)16)7-8-2-1-3-8/h4-6,8H,1-3,7H2.
What are the key properties of 6-bromo-1-(cyclobutylmethyl)indole-2,3-dione?
6-bromo-1-(cyclobutylmethyl)indole-2,3-dione has a molecular weight of 294.15 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(cyclobutylmethyl)indole-2,3-dione is sourced from PubChem (CID 65459439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).