5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one

C11H13BrN2O — CID 115262041

IUPAC5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one
SMILESCN(CBr)Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H13BrN2O/c1-14(7-12)6-8-2-3-10-9(4-8)5-11(15)13-10/h2-4H,5-7H2,1H3,(H,13,15)
InChIKeyRFYZDQGWPNCGBQ-UHFFFAOYSA-N
MW269.14 g/mol
LogP1.97
Rot. Bonds3

About 5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one

5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one (PubChem CID 115262041) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one
PubChem CID115262041
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one
SMILESCN(CBr)Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H13BrN2O/c1-14(7-12)6-8-2-3-10-9(4-8)5-11(15)13-10/h2-4H,5-7H2,1H3,(H,13,15)
InChIKeyRFYZDQGWPNCGBQ-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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

5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one
CID 115205907
5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one
CID 115121496
2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid
CID 115240765
N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-3-sulfanylpropanamide
CID 115167940
methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate
CID 115142468
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
N-methyl-3-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]propanamide
CID 115153275
4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155349
5-(methoxymethyl)-1,3-dihydroindol-2-one
CID 22154148
N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116844796
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
5-butyl-1,3-dihydroindol-2-one
CID 10219749

Frequently Asked Questions

What is the IUPAC name of 5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one (CID 115262041) is 5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one is CN(CBr)Cc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one?
The InChIKey is RFYZDQGWPNCGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-14(7-12)6-8-2-3-10-9(4-8)5-11(15)13-10/h2-4H,5-7H2,1H3,(H,13,15).
What are the key properties of 5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one?
5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one has a molecular weight of 269.14 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115262041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).