2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone

C22H24N2O2 — CID 55889042

IUPAC2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc2c(ccn2CC(=O)N2CCCC2c2ccccc2C)c1
InChIInChI=1S/C22H24N2O2/c1-16-6-3-4-7-19(16)21-8-5-12-24(21)22(25)15-23-13-11-17-14-18(26-2)9-10-20(17)23/h3-4,6-7,9-11,13-14,21H,5,8,12,15H2,1-2H3
InChIKeyWJNROQZWLYGFAY-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.32
Rot. Bonds4

About 2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone

2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 55889042) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID55889042
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc2c(ccn2CC(=O)N2CCCC2c2ccccc2C)c1
InChIInChI=1S/C22H24N2O2/c1-16-6-3-4-7-19(16)21-8-5-12-24(21)22(25)15-23-13-11-17-14-18(26-2)9-10-20(17)23/h3-4,6-7,9-11,13-14,21H,5,8,12,15H2,1-2H3
InChIKeyWJNROQZWLYGFAY-UHFFFAOYSA-N
XLogP4.32
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 42648794
3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 55888907
2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95323554
2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62025582
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5-methoxyindol-1-yl)ethanone
CID 110891728
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one
CID 42920231
1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(5-methoxyindol-1-yl)ethanone
CID 94487425
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627664
2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 60947838
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55410542
ethyl 4-(5-methoxyindol-1-yl)-3-oxobutanoate
CID 63899069

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone (CID 55889042) is 2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone is COc1ccc2c(ccn2CC(=O)N2CCCC2c2ccccc2C)c1.
What is the InChIKey of 2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is WJNROQZWLYGFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-6-3-4-7-19(16)21-8-5-12-24(21)22(25)15-23-13-11-17-14-18(26-2)9-10-20(17)23/h3-4,6-7,9-11,13-14,21H,5,8,12,15H2,1-2H3.
What are the key properties of 2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 348.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 55889042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).