4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole

C15H20N2O — CID 170305481

IUPAC4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
SMILESCOc1cccc2[nH]cc(CC3CCCN3C)c12
InChIInChI=1S/C15H20N2O/c1-17-8-4-5-12(17)9-11-10-16-13-6-3-7-14(18-2)15(11)13/h3,6-7,10,12,16H,4-5,8-9H2,1-2H3
InChIKeyXVPAPIVKCKOBKH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.81
Rot. Bonds3

About 4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole

4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole (PubChem CID 170305481) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
PubChem CID170305481
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
SMILESCOc1cccc2[nH]cc(CC3CCCN3C)c12
InChIInChI=1S/C15H20N2O/c1-17-8-4-5-12(17)9-11-10-16-13-6-3-7-14(18-2)15(11)13/h3,6-7,10,12,16H,4-5,8-9H2,1-2H3
InChIKeyXVPAPIVKCKOBKH-UHFFFAOYSA-N
XLogP2.81
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-4-yl] N-[2-[[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-4-yl]oxycarbonylamino]ethyl]carbamate
CID 170760007
1-O-(3-methyl-1H-indol-4-yl) 4-O-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-4-yl] butanedioate
CID 170760018
2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
CID 136521359
(3-methyl-1H-indol-4-yl) [3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-4-yl] hydrogen phosphate;1-methylpyrrolidine
CID 170760021
4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole
CID 178091685
1-(2-methoxyphenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone
CID 23003773
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58172476
[(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol
CID 171079991
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 59715791
aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine
CID 143921679

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole?
The IUPAC name of 4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole (CID 170305481) is 4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole.
What is the SMILES notation for 4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole?
The canonical SMILES for 4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole is COc1cccc2[nH]cc(CC3CCCN3C)c12.
What is the InChIKey of 4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole?
The InChIKey is XVPAPIVKCKOBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-8-4-5-12(17)9-11-10-16-13-6-3-7-14(18-2)15(11)13/h3,6-7,10,12,16H,4-5,8-9H2,1-2H3.
What are the key properties of 4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole?
4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole has a molecular weight of 244.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole is sourced from PubChem (CID 170305481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).