5-bromo-3,3-dimethyl-1H-indol-2-one

C10H10BrNO — CID 12052796

IUPAC5-bromo-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C10H10BrNO/c1-10(2)7-5-6(11)3-4-8(7)12-9(10)13/h3-5H,1-2H3,(H,12,13)
InChIKeyYCHSJOIHTKPUCQ-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.68
Rot. Bonds

About 5-bromo-3,3-dimethyl-1H-indol-2-one

5-bromo-3,3-dimethyl-1H-indol-2-one (PubChem CID 12052796) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 5-bromo-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3,3-dimethyl-1H-indol-2-one
PubChem CID12052796
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name5-bromo-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C10H10BrNO/c1-10(2)7-5-6(11)3-4-8(7)12-9(10)13/h3-5H,1-2H3,(H,12,13)
InChIKeyYCHSJOIHTKPUCQ-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-bromo-3,3-dimethyl-1H-indol-2-one (CID 12052796) is 5-bromo-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-bromo-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3,3-dimethyl-1H-indol-2-one?
The InChIKey is YCHSJOIHTKPUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-10(2)7-5-6(11)3-4-8(7)12-9(10)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 5-bromo-3,3-dimethyl-1H-indol-2-one?
5-bromo-3,3-dimethyl-1H-indol-2-one has a molecular weight of 240.10 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 12052796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).