6-(4-bromobut-1-enyl)-1H-indole-2,3-dione

C12H10BrNO2 — CID 170498185

IUPAC6-(4-bromobut-1-enyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(C=CCCBr)ccc2C1=O
InChIInChI=1S/C12H10BrNO2/c13-6-2-1-3-8-4-5-9-10(7-8)14-12(16)11(9)15/h1,3-5,7H,2,6H2,(H,14,15,16)
InChIKeyUWEVCDJJNCVGJS-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.62
Rot. Bonds3

About 6-(4-bromobut-1-enyl)-1H-indole-2,3-dione

6-(4-bromobut-1-enyl)-1H-indole-2,3-dione (PubChem CID 170498185) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 6-(4-bromobut-1-enyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-(4-bromobut-1-enyl)-1H-indole-2,3-dione
PubChem CID170498185
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name6-(4-bromobut-1-enyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(C=CCCBr)ccc2C1=O
InChIInChI=1S/C12H10BrNO2/c13-6-2-1-3-8-4-5-9-10(7-8)14-12(16)11(9)15/h1,3-5,7H,2,6H2,(H,14,15,16)
InChIKeyUWEVCDJJNCVGJS-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.62
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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Related Compounds

6-(3-sulfanylprop-1-enyl)-1H-indole-2,3-dione
CID 169455910
6-(4-azidobut-1-enyl)-1H-indole-2,3-dione
CID 170486018
6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione
CID 169474313
6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one
CID 170498191
methyl 3-(2,3-dioxo-1H-indol-6-yl)prop-2-enoate
CID 169479545
7-(4-bromobut-1-enyl)-1H-indole-2,3-dione
CID 170498183
6-(4-bromobut-1-ynyl)-1H-indole-2,3-dione
CID 170466844
3-(4-bromobut-1-enyl)benzenethiol
CID 170496900
6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one
CID 170498148
6-(4-bromobut-1-enyl)-2-methyl-1H-quinolin-4-one
CID 170498238
5-(4-bromobut-1-enyl)-1H-indole
CID 170497591
5-(4-bromobut-1-enyl)-2-methylaniline
CID 170497179

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromobut-1-enyl)-1H-indole-2,3-dione?
The IUPAC name of 6-(4-bromobut-1-enyl)-1H-indole-2,3-dione (CID 170498185) is 6-(4-bromobut-1-enyl)-1H-indole-2,3-dione.
What is the SMILES notation for 6-(4-bromobut-1-enyl)-1H-indole-2,3-dione?
The canonical SMILES for 6-(4-bromobut-1-enyl)-1H-indole-2,3-dione is O=C1Nc2cc(C=CCCBr)ccc2C1=O.
What is the InChIKey of 6-(4-bromobut-1-enyl)-1H-indole-2,3-dione?
The InChIKey is UWEVCDJJNCVGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c13-6-2-1-3-8-4-5-9-10(7-8)14-12(16)11(9)15/h1,3-5,7H,2,6H2,(H,14,15,16).
What are the key properties of 6-(4-bromobut-1-enyl)-1H-indole-2,3-dione?
6-(4-bromobut-1-enyl)-1H-indole-2,3-dione has a molecular weight of 280.12 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromobut-1-enyl)-1H-indole-2,3-dione is sourced from PubChem (CID 170498185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).