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

C14H17ClN2 — CID 103475316

IUPAC7-chloro-1-(2-pyrrolidin-1-ylethyl)indole
SMILESClc1cccc2ccn(CCN3CCCC3)c12
InChIInChI=1S/C14H17ClN2/c15-13-5-3-4-12-6-9-17(14(12)13)11-10-16-7-1-2-8-16/h3-6,9H,1-2,7-8,10-11H2
InChIKeyIUGVYELHPWEPDB-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.39
Rot. Bonds3

About 7-chloro-1-(2-pyrrolidin-1-ylethyl)indole

7-chloro-1-(2-pyrrolidin-1-ylethyl)indole (PubChem CID 103475316) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 7-chloro-1-(2-pyrrolidin-1-ylethyl)indole.

Molecular Properties

Compound Name7-chloro-1-(2-pyrrolidin-1-ylethyl)indole
PubChem CID103475316
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name7-chloro-1-(2-pyrrolidin-1-ylethyl)indole
SMILESClc1cccc2ccn(CCN3CCCC3)c12
InChIInChI=1S/C14H17ClN2/c15-13-5-3-4-12-6-9-17(14(12)13)11-10-16-7-1-2-8-16/h3-6,9H,1-2,7-8,10-11H2
InChIKeyIUGVYELHPWEPDB-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

7-ethyl-1-(2-piperidin-1-ylethyl)indole
CID 116618924
N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine
CID 102914153
7-chloro-1-(2-methoxyethyl)indole
CID 103474736
2-(7-chloroindol-1-yl)-N-ethylethanamine
CID 103474607
N-[2-(7-chloroindol-1-yl)ethyl]-2-methylpropan-2-amine
CID 103474608
7-chloro-1-decylindole
CID 103474775
2-[2-(7-chloroindol-1-yl)ethoxy]ethanol
CID 103474789
2-(7-chloroindol-1-yl)-N,N-diethylethanamine
CID 103475461
N-[2-(7-chloroindol-1-yl)ethyl]-4-methylaniline
CID 103474632
7-chloro-1-(4-methoxybutyl)indole
CID 103475434
7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole
CID 103475019
6-chloro-1-(2-pyrrolidin-1-ylethyl)indole
CID 116620684

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-pyrrolidin-1-ylethyl)indole?
The IUPAC name of 7-chloro-1-(2-pyrrolidin-1-ylethyl)indole (CID 103475316) is 7-chloro-1-(2-pyrrolidin-1-ylethyl)indole.
What is the SMILES notation for 7-chloro-1-(2-pyrrolidin-1-ylethyl)indole?
The canonical SMILES for 7-chloro-1-(2-pyrrolidin-1-ylethyl)indole is Clc1cccc2ccn(CCN3CCCC3)c12.
What is the InChIKey of 7-chloro-1-(2-pyrrolidin-1-ylethyl)indole?
The InChIKey is IUGVYELHPWEPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c15-13-5-3-4-12-6-9-17(14(12)13)11-10-16-7-1-2-8-16/h3-6,9H,1-2,7-8,10-11H2.
What are the key properties of 7-chloro-1-(2-pyrrolidin-1-ylethyl)indole?
7-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 7-chloro-1-(2-pyrrolidin-1-ylethyl)indole is sourced from PubChem (CID 103475316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).