(1R)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole

C9H10BrN — CID 53482081

IUPAC(1R)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole
SMILESC[C@H]1NCc2cc(Br)ccc21
InChIInChI=1S/C9H10BrN/c1-6-9-3-2-8(10)4-7(9)5-11-6/h2-4,6,11H,5H2,1H3/t6-/m1/s1
InChIKeyKTUCROBKAQWWPX-ZCFIWIBFSA-N
MW212.09 g/mol
LogP2.61
Rot. Bonds

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

(1R)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole (PubChem CID 53482081) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is (1R)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name(1R)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole
PubChem CID53482081
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name(1R)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole
SMILESC[C@H]1NCc2cc(Br)ccc21
InChIInChI=1S/C9H10BrN/c1-6-9-3-2-8(10)4-7(9)5-11-6/h2-4,6,11H,5H2,1H3/t6-/m1/s1
InChIKeyKTUCROBKAQWWPX-ZCFIWIBFSA-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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Related Compounds

7-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
Benzenemethanamine, 3-bromo-N-ethyl-
CID 457589
8-Bromo-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 44363154
2-(4-Bromophenyl)-1-methylpyrrolidine
CID 284897
3-Bromo-5-methyl-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imine
CID 13194161
7-Bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 44405495
6-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 15885183
2-(4-Bromophenyl)pyrrolidine
CID 4281494
7-Bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 10514405
(R)-7-Bromo-3-fluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10610273
(S)-7-Bromo-3-fluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10776652
8-Bromo-4-fluoro-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 10933703

Frequently Asked Questions

What is the IUPAC name of (1R)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole?
The IUPAC name of (1R)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole (CID 53482081) is (1R)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for (1R)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for (1R)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole is C[C@H]1NCc2cc(Br)ccc21.
What is the InChIKey of (1R)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole?
The InChIKey is KTUCROBKAQWWPX-ZCFIWIBFSA-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/t6-/m1/s1.
What are the key properties of (1R)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole?
(1R)-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 (1R)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 53482081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).