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

C9H9BrN2O — CID 116947599

IUPAC5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
SMILESNC(Br)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C9H9BrN2O/c10-9(11)5-1-2-7-6(3-5)4-8(13)12-7/h1-3,9H,4,11H2,(H,12,13)
InChIKeyKAVJPSRHNNUXCB-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.53
Rot. Bonds1

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

5-[amino(bromo)methyl]-1,3-dihydroindol-2-one (PubChem CID 116947599) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 5-[amino(bromo)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
PubChem CID116947599
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
SMILESNC(Br)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C9H9BrN2O/c10-9(11)5-1-2-7-6(3-5)4-8(13)12-7/h1-3,9H,4,11H2,(H,12,13)
InChIKeyKAVJPSRHNNUXCB-UHFFFAOYSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.53
H-Bond Donors ≤ 52
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-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61096734
5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one
CID 61098131
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one
CID 63744714
5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 43096298
5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43198852
5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
CID 43197937
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
5-[amino(naphthalen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43824898
5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 80536215
2-amino-N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 116850390

Frequently Asked Questions

What is the IUPAC name of 5-[amino(bromo)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino(bromo)methyl]-1,3-dihydroindol-2-one (CID 116947599) is 5-[amino(bromo)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino(bromo)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino(bromo)methyl]-1,3-dihydroindol-2-one is NC(Br)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[amino(bromo)methyl]-1,3-dihydroindol-2-one?
The InChIKey is KAVJPSRHNNUXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-9(11)5-1-2-7-6(3-5)4-8(13)12-7/h1-3,9H,4,11H2,(H,12,13).
What are the key properties of 5-[amino(bromo)methyl]-1,3-dihydroindol-2-one?
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one has a molecular weight of 241.09 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(bromo)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 116947599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).