5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one

C13H14BrNO2 — CID 170376462

IUPAC5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one
SMILESCC(=O)CN1C(=O)C(C)(C)c2cc(Br)ccc21
InChIInChI=1S/C13H14BrNO2/c1-8(16)7-15-11-5-4-9(14)6-10(11)13(2,3)12(15)17/h4-6H,7H2,1-3H3
InChIKeyWUMSGNZTKQTHMF-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.66
Rot. Bonds2

About 5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one

5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one (PubChem CID 170376462) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one.

Molecular Properties

Compound Name5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one
PubChem CID170376462
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one
SMILESCC(=O)CN1C(=O)C(C)(C)c2cc(Br)ccc21
InChIInChI=1S/C13H14BrNO2/c1-8(16)7-15-11-5-4-9(14)6-10(11)13(2,3)12(15)17/h4-6H,7H2,1-3H3
InChIKeyWUMSGNZTKQTHMF-UHFFFAOYSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-(hydroxymethyl)-3,3-dimethylindol-2-one
CID 58031734
methyl 4-[[2-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoate
CID 170324171
5-bromo-2-(2-oxopropyl)isoindole-1,3-dione
CID 71186577
5-bromo-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one
CID 6499706
5-acetyl-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one
CID 84758344
2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetohydrazide
CID 1098767
(3R)-5-bromo-3-hydroxy-1-methyl-3-(2-methylprop-2-enyl)indol-2-one
CID 102579901
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 53057389
methyl 2-[5-bromo-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate
CID 5309295
1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-3,3,5-trimethylindol-2-one
CID 53057472
5'-bromo-1'-butylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177575
5'-bromo-1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889670

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one?
The IUPAC name of 5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one (CID 170376462) is 5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one.
What is the SMILES notation for 5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one?
The canonical SMILES for 5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one is CC(=O)CN1C(=O)C(C)(C)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one?
The InChIKey is WUMSGNZTKQTHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-8(16)7-15-11-5-4-9(14)6-10(11)13(2,3)12(15)17/h4-6H,7H2,1-3H3.
What are the key properties of 5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one?
5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one has a molecular weight of 296.16 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 170376462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).