(2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole

C9H10BrN — CID 40815975

IUPAC(2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole
SMILESC[C@H]1Cc2cc(Br)ccc2N1
InChIInChI=1S/C9H10BrN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6,11H,4H2,1H3/t6-/m0/s1
InChIKeyNSBOZWGQLGHLQZ-LURJTMIESA-N
MW212.09 g/mol
LogP2.81
Rot. Bonds

About (2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole

(2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole (PubChem CID 40815975) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is (2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole
PubChem CID40815975
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name(2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole
SMILESC[C@H]1Cc2cc(Br)ccc2N1
InChIInChI=1S/C9H10BrN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6,11H,4H2,1H3/t6-/m0/s1
InChIKeyNSBOZWGQLGHLQZ-LURJTMIESA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole?
The IUPAC name of (2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole (CID 40815975) is (2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for (2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for (2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole is C[C@H]1Cc2cc(Br)ccc2N1.
What is the InChIKey of (2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole?
The InChIKey is NSBOZWGQLGHLQZ-LURJTMIESA-N. The full InChI is InChI=1S/C9H10BrN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6,11H,4H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole?
(2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole has a molecular weight of 212.09 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 40815975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).