6-bromo-7-methyl-1,2-dihydroindol-3-one

C9H8BrNO — CID 126547890

IUPAC6-bromo-7-methyl-1,2-dihydroindol-3-one
SMILESCc1c(Br)ccc2c1NCC2=O
InChIInChI=1S/C9H8BrNO/c1-5-7(10)3-2-6-8(12)4-11-9(5)6/h2-3,11H,4H2,1H3
InChIKeyPBKXBFQSZCUMGD-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.37
Rot. Bonds

About 6-bromo-7-methyl-1,2-dihydroindol-3-one

6-bromo-7-methyl-1,2-dihydroindol-3-one (PubChem CID 126547890) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 6-bromo-7-methyl-1,2-dihydroindol-3-one.

Molecular Properties

Compound Name6-bromo-7-methyl-1,2-dihydroindol-3-one
PubChem CID126547890
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name6-bromo-7-methyl-1,2-dihydroindol-3-one
SMILESCc1c(Br)ccc2c1NCC2=O
InChIInChI=1S/C9H8BrNO/c1-5-7(10)3-2-6-8(12)4-11-9(5)6/h2-3,11H,4H2,1H3
InChIKeyPBKXBFQSZCUMGD-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methyl-1,2-dihydroindol-3-one?
The IUPAC name of 6-bromo-7-methyl-1,2-dihydroindol-3-one (CID 126547890) is 6-bromo-7-methyl-1,2-dihydroindol-3-one.
What is the SMILES notation for 6-bromo-7-methyl-1,2-dihydroindol-3-one?
The canonical SMILES for 6-bromo-7-methyl-1,2-dihydroindol-3-one is Cc1c(Br)ccc2c1NCC2=O.
What is the InChIKey of 6-bromo-7-methyl-1,2-dihydroindol-3-one?
The InChIKey is PBKXBFQSZCUMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c1-5-7(10)3-2-6-8(12)4-11-9(5)6/h2-3,11H,4H2,1H3.
What are the key properties of 6-bromo-7-methyl-1,2-dihydroindol-3-one?
6-bromo-7-methyl-1,2-dihydroindol-3-one has a molecular weight of 226.07 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methyl-1,2-dihydroindol-3-one is sourced from PubChem (CID 126547890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).