6-chloro-1-(2-pyrrolidin-1-ylethyl)indole

C14H17ClN2 — CID 116620684

IUPAC6-chloro-1-(2-pyrrolidin-1-ylethyl)indole
SMILESClc1ccc2ccn(CCN3CCCC3)c2c1
InChIInChI=1S/C14H17ClN2/c15-13-4-3-12-5-8-17(14(12)11-13)10-9-16-6-1-2-7-16/h3-5,8,11H,1-2,6-7,9-10H2
InChIKeyWEHLMRRIHLPOKX-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.39
Rot. Bonds3

About 6-chloro-1-(2-pyrrolidin-1-ylethyl)indole

6-chloro-1-(2-pyrrolidin-1-ylethyl)indole (PubChem CID 116620684) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 6-chloro-1-(2-pyrrolidin-1-ylethyl)indole.

Molecular Properties

Compound Name6-chloro-1-(2-pyrrolidin-1-ylethyl)indole
PubChem CID116620684
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name6-chloro-1-(2-pyrrolidin-1-ylethyl)indole
SMILESClc1ccc2ccn(CCN3CCCC3)c2c1
InChIInChI=1S/C14H17ClN2/c15-13-4-3-12-5-8-17(14(12)11-13)10-9-16-6-1-2-7-16/h3-5,8,11H,1-2,6-7,9-10H2
InChIKeyWEHLMRRIHLPOKX-UHFFFAOYSA-N
XLogP3.39
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[2-(6-chloroindol-1-yl)ethoxy]ethanol
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-pyrrolidin-1-ylethyl)indole?
The IUPAC name of 6-chloro-1-(2-pyrrolidin-1-ylethyl)indole (CID 116620684) is 6-chloro-1-(2-pyrrolidin-1-ylethyl)indole.
What is the SMILES notation for 6-chloro-1-(2-pyrrolidin-1-ylethyl)indole?
The canonical SMILES for 6-chloro-1-(2-pyrrolidin-1-ylethyl)indole is Clc1ccc2ccn(CCN3CCCC3)c2c1.
What is the InChIKey of 6-chloro-1-(2-pyrrolidin-1-ylethyl)indole?
The InChIKey is WEHLMRRIHLPOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c15-13-4-3-12-5-8-17(14(12)11-13)10-9-16-6-1-2-7-16/h3-5,8,11H,1-2,6-7,9-10H2.
What are the key properties of 6-chloro-1-(2-pyrrolidin-1-ylethyl)indole?
6-chloro-1-(2-pyrrolidin-1-ylethyl)indole has a molecular weight of 248.76 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-pyrrolidin-1-ylethyl)indole is sourced from PubChem (CID 116620684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).