1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one

C11H13BrN2O — CID 115262042

IUPAC1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one
SMILESCNCc1ccc2c(c1)CC(=O)N2CBr
InChIInChI=1S/C11H13BrN2O/c1-13-6-8-2-3-10-9(4-8)5-11(15)14(10)7-12/h2-4,13H,5-7H2,1H3
InChIKeyLLKLGFYABKACEW-UHFFFAOYSA-N
MW269.14 g/mol
LogP1.65
Rot. Bonds3

About 1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one

1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one (PubChem CID 115262042) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one
PubChem CID115262042
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one
SMILESCNCc1ccc2c(c1)CC(=O)N2CBr
InChIInChI=1S/C11H13BrN2O/c1-13-6-8-2-3-10-9(4-8)5-11(15)14(10)7-12/h2-4,13H,5-7H2,1H3
InChIKeyLLKLGFYABKACEW-UHFFFAOYSA-N
XLogP1.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-bis(methylaminomethyl)-3H-indol-2-one
CID 115226998
1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115195920
5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one
CID 115234861
1-[4-(methylamino)butyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115202033
2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile
CID 115253922
1-(4-aminophenyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 117041280
1-methyl-6-(methylaminomethyl)-3H-indol-2-one
CID 82603428
methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate
CID 115142469
2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
CID 115218053
1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115136265
3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile
CID 115231217
6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one
CID 115234864

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one?
The IUPAC name of 1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one (CID 115262042) is 1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one.
What is the SMILES notation for 1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one?
The canonical SMILES for 1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one is CNCc1ccc2c(c1)CC(=O)N2CBr.
What is the InChIKey of 1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one?
The InChIKey is LLKLGFYABKACEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-13-6-8-2-3-10-9(4-8)5-11(15)14(10)7-12/h2-4,13H,5-7H2,1H3.
What are the key properties of 1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one?
1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one has a molecular weight of 269.14 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one is sourced from PubChem (CID 115262042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).