3-bromo-5-methoxy-1,3-dimethylindol-2-one

C11H12BrNO2 — CID 163653219

IUPAC3-bromo-5-methoxy-1,3-dimethylindol-2-one
SMILESCOc1ccc2c(c1)C(C)(Br)C(=O)N2C
InChIInChI=1S/C11H12BrNO2/c1-11(12)8-6-7(15-3)4-5-9(8)13(2)10(11)14/h4-6H,1-3H3
InChIKeyINZODNRYIAYGIR-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.28
Rot. Bonds1

About 3-bromo-5-methoxy-1,3-dimethylindol-2-one

3-bromo-5-methoxy-1,3-dimethylindol-2-one (PubChem CID 163653219) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 3-bromo-5-methoxy-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name3-bromo-5-methoxy-1,3-dimethylindol-2-one
PubChem CID163653219
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name3-bromo-5-methoxy-1,3-dimethylindol-2-one
SMILESCOc1ccc2c(c1)C(C)(Br)C(=O)N2C
InChIInChI=1S/C11H12BrNO2/c1-11(12)8-6-7(15-3)4-5-9(8)13(2)10(11)14/h4-6H,1-3H3
InChIKeyINZODNRYIAYGIR-UHFFFAOYSA-N
XLogP2.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde
CID 24950980
3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile
CID 122383976
ethyl 3-fluoro-5-methoxy-1-methyl-2-oxoindole-3-carboxylate
CID 162342797
(3S)-1'-(3,5-dimethoxybenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104144
5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione
CID 68674859
(2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione
CID 132531797
3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
CID 139255146
5-methoxy-1-methyl-1'-(3-methylphenyl)sulfonylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177296
(3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one
CID 132608894
1'-(cyclopentanecarbonyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177264
CID 134957608
CID 134957608
(3R)-1'-(4-chlorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104183

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-1,3-dimethylindol-2-one?
The IUPAC name of 3-bromo-5-methoxy-1,3-dimethylindol-2-one (CID 163653219) is 3-bromo-5-methoxy-1,3-dimethylindol-2-one.
What is the SMILES notation for 3-bromo-5-methoxy-1,3-dimethylindol-2-one?
The canonical SMILES for 3-bromo-5-methoxy-1,3-dimethylindol-2-one is COc1ccc2c(c1)C(C)(Br)C(=O)N2C.
What is the InChIKey of 3-bromo-5-methoxy-1,3-dimethylindol-2-one?
The InChIKey is INZODNRYIAYGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-11(12)8-6-7(15-3)4-5-9(8)13(2)10(11)14/h4-6H,1-3H3.
What are the key properties of 3-bromo-5-methoxy-1,3-dimethylindol-2-one?
3-bromo-5-methoxy-1,3-dimethylindol-2-one has a molecular weight of 270.13 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-1,3-dimethylindol-2-one is sourced from PubChem (CID 163653219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).