6-bromo-2-methoxy-2-methyl-1H-indol-3-one

C10H10BrNO2 — CID 15915773

IUPAC6-bromo-2-methoxy-2-methyl-1H-indol-3-one
SMILESCOC1(C)Nc2cc(Br)ccc2C1=O
InChIInChI=1S/C10H10BrNO2/c1-10(14-2)9(13)7-4-3-6(11)5-8(7)12-10/h3-5,12H,1-2H3
InChIKeyVWFZUHVIVYVQTQ-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.42
Rot. Bonds1

About 6-bromo-2-methoxy-2-methyl-1H-indol-3-one

6-bromo-2-methoxy-2-methyl-1H-indol-3-one (PubChem CID 15915773) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 6-bromo-2-methoxy-2-methyl-1H-indol-3-one.

Molecular Properties

Compound Name6-bromo-2-methoxy-2-methyl-1H-indol-3-one
PubChem CID15915773
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name6-bromo-2-methoxy-2-methyl-1H-indol-3-one
SMILESCOC1(C)Nc2cc(Br)ccc2C1=O
InChIInChI=1S/C10H10BrNO2/c1-10(14-2)9(13)7-4-3-6(11)5-8(7)12-10/h3-5,12H,1-2H3
InChIKeyVWFZUHVIVYVQTQ-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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6-bromo-3-(methoxymethoxymethylidene)-1H-indol-2-one
CID 76651421
methyl 6-bromo-2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3-oxo-1H-indole-2-carboxylate
CID 139554536
methyl 6-bromo-3,3-dimethyl-2-oxo-4H-quinoxaline-1-carboxylate
CID 175389736
methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate
CID 117193320
2-(7-bromo-2,2-dimethyl-1H-quinolin-4-yl)-2-[trimethyl(oxo)-λ6-sulfanyl]acetonitrile
CID 175312053
6-bromo-2-methylsulfanyl-1,2-dihydroindol-3-one
CID 162949209
7-bromo-3,3-dimethyl-2,5-dihydro-1,5-benzothiazepin-4-one
CID 115098459
methyl 6-bromo-2-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]-3-oxo-1H-indole-2-carboxylate
CID 139554538
methyl (2S)-6-bromo-2-[(2S)-6-bromo-2-methoxycarbonyl-3-oxo-1H-inden-2-yl]-3-oxo-1H-indene-2-carboxylate
CID 164686557
8,25-dibromo-30,34-dimethoxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione
CID 90470614
2-bromo-6-methoxyanthracene-9,10-dione
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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxy-2-methyl-1H-indol-3-one?
The IUPAC name of 6-bromo-2-methoxy-2-methyl-1H-indol-3-one (CID 15915773) is 6-bromo-2-methoxy-2-methyl-1H-indol-3-one.
What is the SMILES notation for 6-bromo-2-methoxy-2-methyl-1H-indol-3-one?
The canonical SMILES for 6-bromo-2-methoxy-2-methyl-1H-indol-3-one is COC1(C)Nc2cc(Br)ccc2C1=O.
What is the InChIKey of 6-bromo-2-methoxy-2-methyl-1H-indol-3-one?
The InChIKey is VWFZUHVIVYVQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-10(14-2)9(13)7-4-3-6(11)5-8(7)12-10/h3-5,12H,1-2H3.
What are the key properties of 6-bromo-2-methoxy-2-methyl-1H-indol-3-one?
6-bromo-2-methoxy-2-methyl-1H-indol-3-one has a molecular weight of 256.10 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxy-2-methyl-1H-indol-3-one is sourced from PubChem (CID 15915773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).