(3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole

C10H12BrN — CID 95430883

IUPAC(3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole
SMILESCC[C@H]1CNc2ccc(Br)cc21
InChIInChI=1S/C10H12BrN/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-5,7,12H,2,6H2,1H3/t7-/m0/s1
InChIKeyJYAPKXVCYCPSOJ-ZETCQYMHSA-N
MW226.12 g/mol
LogP3.37
Rot. Bonds1

About (3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole

(3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole (PubChem CID 95430883) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is (3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole
PubChem CID95430883
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name(3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole
SMILESCC[C@H]1CNc2ccc(Br)cc21
InChIInChI=1S/C10H12BrN/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-5,7,12H,2,6H2,1H3/t7-/m0/s1
InChIKeyJYAPKXVCYCPSOJ-ZETCQYMHSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2,3-dihydro-1H-indol-3-yl)methanol
CID 71068546
(3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole
CID 95430825
5-bromo-3-pent-3-ynyl-2,3-dihydro-1H-indole
CID 106986488
3-(5-bromo-2,3-dihydro-1H-indol-3-yl)-2,2-dimethylpropanoic acid
CID 117202167
3-(5-bromo-2,3-dihydro-1H-indol-3-yl)-2-methylpropanoic acid
CID 117202166
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 112721951
(6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine
CID 82276709
5-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84706364
7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84636914
1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine
CID 83866994
5-bromo-3-phenyl-2,3-dihydro-1H-indole
CID 177342618

Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole?
The IUPAC name of (3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole (CID 95430883) is (3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for (3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole?
The canonical SMILES for (3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole is CC[C@H]1CNc2ccc(Br)cc21.
What is the InChIKey of (3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole?
The InChIKey is JYAPKXVCYCPSOJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12BrN/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-5,7,12H,2,6H2,1H3/t7-/m0/s1.
What are the key properties of (3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole?
(3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole has a molecular weight of 226.12 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 95430883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).