5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one

C13H16BrNO — CID 61096734

IUPAC5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
SMILESCC(C)(C)C(Br)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H16BrNO/c1-13(2,3)12(14)8-4-5-10-9(6-8)7-11(16)15-10/h4-6,12H,7H2,1-3H3,(H,15,16)
InChIKeyOLRZOFYGIKXDEZ-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.66
Rot. Bonds1

About 5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one

5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one (PubChem CID 61096734) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
PubChem CID61096734
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
SMILESCC(C)(C)C(Br)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H16BrNO/c1-13(2,3)12(14)8-4-5-10-9(6-8)7-11(16)15-10/h4-6,12H,7H2,1-3H3,(H,15,16)
InChIKeyOLRZOFYGIKXDEZ-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one
CID 61097734
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 116949019
5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one
CID 61098131
5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one
CID 63744714
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
5-[1-bromo-2-(4-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 61097737
5-(1-bromodecyl)-1,3-dihydroindol-2-one
CID 65428909

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one (CID 61096734) is 5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one is CC(C)(C)C(Br)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one?
The InChIKey is OLRZOFYGIKXDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-13(2,3)12(14)8-4-5-10-9(6-8)7-11(16)15-10/h4-6,12H,7H2,1-3H3,(H,15,16).
What are the key properties of 5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one?
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one has a molecular weight of 282.18 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 61096734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).