5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole

C15H20N2O — CID 154694298

IUPAC5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
SMILESCOc1ccc2c(ccn2C[C@H]2CCCN2C)c1
InChIInChI=1S/C15H20N2O/c1-16-8-3-4-13(16)11-17-9-7-12-10-14(18-2)5-6-15(12)17/h5-7,9-10,13H,3-4,8,11H2,1-2H3/t13-/m1/s1
InChIKeySSFZWBLMTWRLJD-CYBMUJFWSA-N
MW244.34 g/mol
LogP2.74
Rot. Bonds3

About 5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole

5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole (PubChem CID 154694298) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole.

Molecular Properties

Compound Name5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
PubChem CID154694298
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
SMILESCOc1ccc2c(ccn2C[C@H]2CCCN2C)c1
InChIInChI=1S/C15H20N2O/c1-16-8-3-4-13(16)11-17-9-7-12-10-14(18-2)5-6-15(12)17/h5-7,9-10,13H,3-4,8,11H2,1-2H3/t13-/m1/s1
InChIKeySSFZWBLMTWRLJD-CYBMUJFWSA-N
XLogP2.74
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole
CID 167666538
2-(chloromethyl)-5-methoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole
CID 106020520
5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole
CID 123227825
2-(chloromethyl)-6-methoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole
CID 106020613
2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95323554
N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide
CID 141192454
5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
CID 103413319
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5-methoxyindol-1-yl)ethanone
CID 110891728
1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 75439284
5-methoxy-1-(2-methylsulfanylethyl)indole
CID 116619344
N-(3-methyl-2-nitrophenyl)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-5-amine
CID 56995113
1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 42648794

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole?
The IUPAC name of 5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole (CID 154694298) is 5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole.
What is the SMILES notation for 5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole?
The canonical SMILES for 5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole is COc1ccc2c(ccn2C[C@H]2CCCN2C)c1.
What is the InChIKey of 5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole?
The InChIKey is SSFZWBLMTWRLJD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-8-3-4-13(16)11-17-9-7-12-10-14(18-2)5-6-15(12)17/h5-7,9-10,13H,3-4,8,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole?
5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole has a molecular weight of 244.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole is sourced from PubChem (CID 154694298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).