5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole

C14H17BrN2 — CID 15521562

IUPAC5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
SMILESCN1CCCC1Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H17BrN2/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8-9,12,16H,2-3,6-7H2,1H3
InChIKeyJCXOJXALBTZEFE-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.57
Rot. Bonds2

About 5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole

5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole (PubChem CID 15521562) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
PubChem CID15521562
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
SMILESCN1CCCC1Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H17BrN2/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8-9,12,16H,2-3,6-7H2,1H3
InChIKeyJCXOJXALBTZEFE-UHFFFAOYSA-N
XLogP3.57
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 59715791
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
1-(2,5-dibromophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone
CID 23003831
5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 10220397
2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide
CID 15840027
N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide
CID 163863896
[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea
CID 19040775
5-(2-ethylsulfonylethyl)-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 19970230
2-methyl-5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]pentan-2-ol
CID 22870340
3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(oxan-4-ylsulfanyl)-1H-indole
CID 176854776
N,N-dibenzyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-amine
CID 54377816
3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide
CID 54079951

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole (CID 15521562) is 5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole is CN1CCCC1Cc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole?
The InChIKey is JCXOJXALBTZEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8-9,12,16H,2-3,6-7H2,1H3.
What are the key properties of 5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole?
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole has a molecular weight of 293.21 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole is sourced from PubChem (CID 15521562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).