5-bromo-3-cyclopropyl-1H-indole

C11H10BrN — CID 103863095

IUPAC5-bromo-3-cyclopropyl-1H-indole
SMILESBrc1ccc2[nH]cc(C3CC3)c2c1
InChIInChI=1S/C11H10BrN/c12-8-3-4-11-9(5-8)10(6-13-11)7-1-2-7/h3-7,13H,1-2H2
InChIKeyWTGHVCBUFAOGSP-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.81
Rot. Bonds1

About 5-bromo-3-cyclopropyl-1H-indole

5-bromo-3-cyclopropyl-1H-indole (PubChem CID 103863095) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 5-bromo-3-cyclopropyl-1H-indole.

Molecular Properties

Compound Name5-bromo-3-cyclopropyl-1H-indole
PubChem CID103863095
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name5-bromo-3-cyclopropyl-1H-indole
SMILESBrc1ccc2[nH]cc(C3CC3)c2c1
InChIInChI=1S/C11H10BrN/c12-8-3-4-11-9(5-8)10(6-13-11)7-1-2-7/h3-7,13H,1-2H2
InChIKeyWTGHVCBUFAOGSP-UHFFFAOYSA-N
XLogP3.81
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15745344
5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole
CID 95432462
5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 15326275
5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole
CID 106985642
5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole
CID 67753647
5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole
CID 123956330
(3S,6S)-3,6-bis(5-bromo-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
CID 1238850
5-bromo-3-(cyclobutylmethyl)-1H-indole
CID 106985526
5-bromo-3-cyclopropyl-1H-indol-7-ol
CID 130050063
3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole
CID 106985287
3-(6-bromo-1H-indol-3-yl)cyclopentan-1-one
CID 22139468
(3S)-3-(6-bromo-1H-indol-3-yl)cyclopentan-1-one
CID 99646312

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-cyclopropyl-1H-indole?
The IUPAC name of 5-bromo-3-cyclopropyl-1H-indole (CID 103863095) is 5-bromo-3-cyclopropyl-1H-indole.
What is the SMILES notation for 5-bromo-3-cyclopropyl-1H-indole?
The canonical SMILES for 5-bromo-3-cyclopropyl-1H-indole is Brc1ccc2[nH]cc(C3CC3)c2c1.
What is the InChIKey of 5-bromo-3-cyclopropyl-1H-indole?
The InChIKey is WTGHVCBUFAOGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c12-8-3-4-11-9(5-8)10(6-13-11)7-1-2-7/h3-7,13H,1-2H2.
What are the key properties of 5-bromo-3-cyclopropyl-1H-indole?
5-bromo-3-cyclopropyl-1H-indole has a molecular weight of 236.11 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclopropyl-1H-indole is sourced from PubChem (CID 103863095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).