4-(2-bromoethyl)-1H-indole-2,3-dione

C10H8BrNO2 — CID 143092781

IUPAC4-(2-bromoethyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cccc(CCBr)c2C1=O
InChIInChI=1S/C10H8BrNO2/c11-5-4-6-2-1-3-7-8(6)9(13)10(14)12-7/h1-3H,4-5H2,(H,12,13,14)
InChIKeyJYCBONZTXCMOGP-UHFFFAOYSA-N
MW254.08 g/mol
LogP1.76
Rot. Bonds2

About 4-(2-bromoethyl)-1H-indole-2,3-dione

4-(2-bromoethyl)-1H-indole-2,3-dione (PubChem CID 143092781) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 4-(2-bromoethyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name4-(2-bromoethyl)-1H-indole-2,3-dione
PubChem CID143092781
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name4-(2-bromoethyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cccc(CCBr)c2C1=O
InChIInChI=1S/C10H8BrNO2/c11-5-4-6-2-1-3-7-8(6)9(13)10(14)12-7/h1-3H,4-5H2,(H,12,13,14)
InChIKeyJYCBONZTXCMOGP-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 51.76
H-Bond Donors ≤ 51
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 4-(2-bromoethyl)-1H-indole-2,3-dione?
The IUPAC name of 4-(2-bromoethyl)-1H-indole-2,3-dione (CID 143092781) is 4-(2-bromoethyl)-1H-indole-2,3-dione.
What is the SMILES notation for 4-(2-bromoethyl)-1H-indole-2,3-dione?
The canonical SMILES for 4-(2-bromoethyl)-1H-indole-2,3-dione is O=C1Nc2cccc(CCBr)c2C1=O.
What is the InChIKey of 4-(2-bromoethyl)-1H-indole-2,3-dione?
The InChIKey is JYCBONZTXCMOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c11-5-4-6-2-1-3-7-8(6)9(13)10(14)12-7/h1-3H,4-5H2,(H,12,13,14).
What are the key properties of 4-(2-bromoethyl)-1H-indole-2,3-dione?
4-(2-bromoethyl)-1H-indole-2,3-dione has a molecular weight of 254.08 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-1H-indole-2,3-dione is sourced from PubChem (CID 143092781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).