5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole

C14H18N2 — CID 18965344

IUPAC5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
SMILESCc1ccc2[nH]cc(CC3CCNC3)c2c1
InChIInChI=1S/C14H18N2/c1-10-2-3-14-13(6-10)12(9-16-14)7-11-4-5-15-8-11/h2-3,6,9,11,15-16H,4-5,7-8H2,1H3
InChIKeyYZQMSTFFQOVRLL-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.63
Rot. Bonds2

About 5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole

5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole (PubChem CID 18965344) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
PubChem CID18965344
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
SMILESCc1ccc2[nH]cc(CC3CCNC3)c2c1
InChIInChI=1S/C14H18N2/c1-10-2-3-14-13(6-10)12(9-16-14)7-11-4-5-15-8-11/h2-3,6,9,11,15-16H,4-5,7-8H2,1H3
InChIKeyYZQMSTFFQOVRLL-UHFFFAOYSA-N
XLogP2.63
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82494836
3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one
CID 84630302
3-[(2-bromo-4-methylphenyl)methyl]pyrrolidine
CID 84804659
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559
(5R)-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
CID 121403174
5-methyl-3-piperidin-3-yl-1H-indole
CID 54857111
N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline
CID 117336984
3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol
CID 84645179
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497303
4-methyl-2-(piperidin-3-ylmethyl)aniline
CID 105456884
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole
CID 19848863

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole?
The IUPAC name of 5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole (CID 18965344) is 5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole.
What is the SMILES notation for 5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole?
The canonical SMILES for 5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole is Cc1ccc2[nH]cc(CC3CCNC3)c2c1.
What is the InChIKey of 5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole?
The InChIKey is YZQMSTFFQOVRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-2-3-14-13(6-10)12(9-16-14)7-11-4-5-15-8-11/h2-3,6,9,11,15-16H,4-5,7-8H2,1H3.
What are the key properties of 5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole?
5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole has a molecular weight of 214.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole is sourced from PubChem (CID 18965344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).