1-(2-cyclopentylethyl)-4-methylindole

C16H21N — CID 114192720

IUPAC1-(2-cyclopentylethyl)-4-methylindole
SMILESCc1cccc2c1ccn2CCC1CCCC1
InChIInChI=1S/C16H21N/c1-13-5-4-8-16-15(13)10-12-17(16)11-9-14-6-2-3-7-14/h4-5,8,10,12,14H,2-3,6-7,9,11H2,1H3
InChIKeyQRSQJWKHNCKSFQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.53
Rot. Bonds3

About 1-(2-cyclopentylethyl)-4-methylindole

1-(2-cyclopentylethyl)-4-methylindole (PubChem CID 114192720) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)-4-methylindole.

Molecular Properties

Compound Name1-(2-cyclopentylethyl)-4-methylindole
PubChem CID114192720
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name1-(2-cyclopentylethyl)-4-methylindole
SMILESCc1cccc2c1ccn2CCC1CCCC1
InChIInChI=1S/C16H21N/c1-13-5-4-8-16-15(13)10-12-17(16)11-9-14-6-2-3-7-14/h4-5,8,10,12,14H,2-3,6-7,9,11H2,1H3
InChIKeyQRSQJWKHNCKSFQ-UHFFFAOYSA-N
XLogP4.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-cyclopentylethyl)-4-methylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethyl)-4-methylindole?
The IUPAC name of 1-(2-cyclopentylethyl)-4-methylindole (CID 114192720) is 1-(2-cyclopentylethyl)-4-methylindole.
What is the SMILES notation for 1-(2-cyclopentylethyl)-4-methylindole?
The canonical SMILES for 1-(2-cyclopentylethyl)-4-methylindole is Cc1cccc2c1ccn2CCC1CCCC1.
What is the InChIKey of 1-(2-cyclopentylethyl)-4-methylindole?
The InChIKey is QRSQJWKHNCKSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-13-5-4-8-16-15(13)10-12-17(16)11-9-14-6-2-3-7-14/h4-5,8,10,12,14H,2-3,6-7,9,11H2,1H3.
What are the key properties of 1-(2-cyclopentylethyl)-4-methylindole?
1-(2-cyclopentylethyl)-4-methylindole has a molecular weight of 227.35 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)-4-methylindole is sourced from PubChem (CID 114192720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).