1-(2-bromoethyl)indole-2,3-dione

C10H8BrNO2 — CID 3542734

IUPAC1-(2-bromoethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCBr)c2ccccc21
InChIInChI=1S/C10H8BrNO2/c11-5-6-12-8-4-2-1-3-7(8)9(13)10(12)14/h1-4H,5-6H2
InChIKeySJALPCXFOSGNST-UHFFFAOYSA-N
MW254.08 g/mol
LogP1.61
Rot. Bonds2

About 1-(2-bromoethyl)indole-2,3-dione

1-(2-bromoethyl)indole-2,3-dione (PubChem CID 3542734) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 1-(2-bromoethyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(2-bromoethyl)indole-2,3-dione
PubChem CID3542734
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name1-(2-bromoethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCBr)c2ccccc21
InChIInChI=1S/C10H8BrNO2/c11-5-6-12-8-4-2-1-3-7(8)9(13)10(12)14/h1-4H,5-6H2
InChIKeySJALPCXFOSGNST-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)indole-2,3-dione?
The IUPAC name of 1-(2-bromoethyl)indole-2,3-dione (CID 3542734) is 1-(2-bromoethyl)indole-2,3-dione.
What is the SMILES notation for 1-(2-bromoethyl)indole-2,3-dione?
The canonical SMILES for 1-(2-bromoethyl)indole-2,3-dione is O=C1C(=O)N(CCBr)c2ccccc21.
What is the InChIKey of 1-(2-bromoethyl)indole-2,3-dione?
The InChIKey is SJALPCXFOSGNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c11-5-6-12-8-4-2-1-3-7(8)9(13)10(12)14/h1-4H,5-6H2.
What are the key properties of 1-(2-bromoethyl)indole-2,3-dione?
1-(2-bromoethyl)indole-2,3-dione has a molecular weight of 254.08 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)indole-2,3-dione is sourced from PubChem (CID 3542734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).