5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole

C12H13BrN2 — CID 95432462

IUPAC5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole
SMILESBrc1ccc2[nH]cc([C@H]3CCNC3)c2c1
InChIInChI=1S/C12H13BrN2/c13-9-1-2-12-10(5-9)11(7-15-12)8-3-4-14-6-8/h1-2,5,7-8,14-15H,3-4,6H2/t8-/m0/s1
InChIKeyREHOOAFJZMXJJN-QMMMGPOBSA-N
MW265.15 g/mol
LogP3.01
Rot. Bonds1

About 5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole

5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole (PubChem CID 95432462) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole
PubChem CID95432462
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole
SMILESBrc1ccc2[nH]cc([C@H]3CCNC3)c2c1
InChIInChI=1S/C12H13BrN2/c13-9-1-2-12-10(5-9)11(7-15-12)8-3-4-14-6-8/h1-2,5,7-8,14-15H,3-4,6H2/t8-/m0/s1
InChIKeyREHOOAFJZMXJJN-QMMMGPOBSA-N
XLogP3.01
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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6-methyl-3-pyrrolidin-3-yl-1H-indole
CID 54857127
5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 15326275
5-bromo-2-pyrrolidin-3-ylaniline
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3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol
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5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole
CID 123956330
3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine
CID 84713327
(5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol
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CID 84644063

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole?
The IUPAC name of 5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole (CID 95432462) is 5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole is Brc1ccc2[nH]cc([C@H]3CCNC3)c2c1.
What is the InChIKey of 5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole?
The InChIKey is REHOOAFJZMXJJN-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13BrN2/c13-9-1-2-12-10(5-9)11(7-15-12)8-3-4-14-6-8/h1-2,5,7-8,14-15H,3-4,6H2/t8-/m0/s1.
What are the key properties of 5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole?
5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole has a molecular weight of 265.15 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole is sourced from PubChem (CID 95432462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).