5-bromo-1-methyl-2,3-dihydro-1H-isoindole

C9H10BrN — CID 18401809

IUPAC5-bromo-1-methyl-2,3-dihydro-1H-isoindole
SMILESCC1NCc2cc(Br)ccc21
InChIInChI=1S/C9H10BrN/c1-6-9-3-2-8(10)4-7(9)5-11-6/h2-4,6,11H,5H2,1H3
InChIKeyKTUCROBKAQWWPX-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.61
Rot. Bonds

About 5-bromo-1-methyl-2,3-dihydro-1H-isoindole

5-bromo-1-methyl-2,3-dihydro-1H-isoindole (PubChem CID 18401809) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 5-bromo-1-methyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-bromo-1-methyl-2,3-dihydro-1H-isoindole
PubChem CID18401809
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name5-bromo-1-methyl-2,3-dihydro-1H-isoindole
SMILESCC1NCc2cc(Br)ccc21
InChIInChI=1S/C9H10BrN/c1-6-9-3-2-8(10)4-7(9)5-11-6/h2-4,6,11H,5H2,1H3
InChIKeyKTUCROBKAQWWPX-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-bromo-1-methyl-2,3-dihydro-1H-isoindole (CID 18401809) is 5-bromo-1-methyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-bromo-1-methyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-bromo-1-methyl-2,3-dihydro-1H-isoindole is CC1NCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-methyl-2,3-dihydro-1H-isoindole?
The InChIKey is KTUCROBKAQWWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c1-6-9-3-2-8(10)4-7(9)5-11-6/h2-4,6,11H,5H2,1H3.
What are the key properties of 5-bromo-1-methyl-2,3-dihydro-1H-isoindole?
5-bromo-1-methyl-2,3-dihydro-1H-isoindole has a molecular weight of 212.09 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 18401809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).