2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole

C16H22N2 — CID 84630578

IUPAC2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC1CCCN1
InChIInChI=1S/C16H22N2/c1-10-6-7-11(2)16-15(10)14(12(3)18-16)9-13-5-4-8-17-13/h6-7,13,17-18H,4-5,8-9H2,1-3H3
InChIKeyXTZYKCOQRJJWMQ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.39
Rot. Bonds2

About 2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole

2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole (PubChem CID 84630578) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole.

Molecular Properties

Compound Name2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole
PubChem CID84630578
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC1CCCN1
InChIInChI=1S/C16H22N2/c1-10-6-7-11(2)16-15(10)14(12(3)18-16)9-13-5-4-8-17-13/h6-7,13,17-18H,4-5,8-9H2,1-3H3
InChIKeyXTZYKCOQRJJWMQ-UHFFFAOYSA-N
XLogP3.39
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine
CID 84808311
7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
CID 84632388
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline
CID 117118272
2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
CID 84778649
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84636243
6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
CID 84632406
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320369

Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole?
The IUPAC name of 2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole (CID 84630578) is 2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole.
What is the SMILES notation for 2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole?
The canonical SMILES for 2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole is Cc1[nH]c2c(C)ccc(C)c2c1CC1CCCN1.
What is the InChIKey of 2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole?
The InChIKey is XTZYKCOQRJJWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-10-6-7-11(2)16-15(10)14(12(3)18-16)9-13-5-4-8-17-13/h6-7,13,17-18H,4-5,8-9H2,1-3H3.
What are the key properties of 2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole?
2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole has a molecular weight of 242.37 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole is sourced from PubChem (CID 84630578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).