4-(3-bromoprop-1-enyl)-5-methyl-1H-indole-2,3-dione

C12H10BrNO2 — CID 169476229

IUPAC4-(3-bromoprop-1-enyl)-5-methyl-1H-indole-2,3-dione
SMILESCc1ccc2c(c1C=CCBr)C(=O)C(=O)N2
InChIInChI=1S/C12H10BrNO2/c1-7-4-5-9-10(8(7)3-2-6-13)11(15)12(16)14-9/h2-5H,6H2,1H3,(H,14,15,16)
InChIKeyWIDOHFUWJKUEAA-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.54
Rot. Bonds2

About 4-(3-bromoprop-1-enyl)-5-methyl-1H-indole-2,3-dione

4-(3-bromoprop-1-enyl)-5-methyl-1H-indole-2,3-dione (PubChem CID 169476229) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 4-(3-bromoprop-1-enyl)-5-methyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name4-(3-bromoprop-1-enyl)-5-methyl-1H-indole-2,3-dione
PubChem CID169476229
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name4-(3-bromoprop-1-enyl)-5-methyl-1H-indole-2,3-dione
SMILESCc1ccc2c(c1C=CCBr)C(=O)C(=O)N2
InChIInChI=1S/C12H10BrNO2/c1-7-4-5-9-10(8(7)3-2-6-13)11(15)12(16)14-9/h2-5H,6H2,1H3,(H,14,15,16)
InChIKeyWIDOHFUWJKUEAA-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.54
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-(3-bromoprop-1-enyl)-5-methyl-1H-indole-2,3-dione?
The IUPAC name of 4-(3-bromoprop-1-enyl)-5-methyl-1H-indole-2,3-dione (CID 169476229) is 4-(3-bromoprop-1-enyl)-5-methyl-1H-indole-2,3-dione.
What is the SMILES notation for 4-(3-bromoprop-1-enyl)-5-methyl-1H-indole-2,3-dione?
The canonical SMILES for 4-(3-bromoprop-1-enyl)-5-methyl-1H-indole-2,3-dione is Cc1ccc2c(c1C=CCBr)C(=O)C(=O)N2.
What is the InChIKey of 4-(3-bromoprop-1-enyl)-5-methyl-1H-indole-2,3-dione?
The InChIKey is WIDOHFUWJKUEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-7-4-5-9-10(8(7)3-2-6-13)11(15)12(16)14-9/h2-5H,6H2,1H3,(H,14,15,16).
What are the key properties of 4-(3-bromoprop-1-enyl)-5-methyl-1H-indole-2,3-dione?
4-(3-bromoprop-1-enyl)-5-methyl-1H-indole-2,3-dione has a molecular weight of 280.12 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoprop-1-enyl)-5-methyl-1H-indole-2,3-dione is sourced from PubChem (CID 169476229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).