1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride

C16H20ClNO2 — CID 67637530

IUPAC1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride
SMILESCc1cn(CC2CCCC2)c2cc(C(=O)O)ccc12.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-11-9-17(10-12-4-2-3-5-12)15-8-13(16(18)19)6-7-14(11)15;/h6-9,12H,2-5,10H2,1H3,(H,18,19);1H
InChIKeyILFKZQOVRVJGAU-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.26
Rot. Bonds3

About 1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride

1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride (PubChem CID 67637530) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride
PubChem CID67637530
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride
SMILESCc1cn(CC2CCCC2)c2cc(C(=O)O)ccc12.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-11-9-17(10-12-4-2-3-5-12)15-8-13(16(18)19)6-7-14(11)15;/h6-9,12H,2-5,10H2,1H3,(H,18,19);1H
InChIKeyILFKZQOVRVJGAU-UHFFFAOYSA-N
XLogP4.26
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid
CID 56631463
1-(2-aminoethyl)-3-methylindole-6-carboxylic acid
CID 83946650
3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid
CID 82791377
benzotriazol-1-yl 3-methyl-1-(oxan-2-ylmethyl)indole-6-carboxylate
CID 22663329
1-[1-(cyclopentylmethyl)indol-6-yl]ethanone
CID 115106717
tert-butyl 3-[3-methyl-1-(oxan-2-ylmethyl)indol-6-yl]-2-oxopyrrolidine-1-carboxylate
CID 67628010
3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82770294
3-methyl-1-propylindole-5-carboxylic acid
CID 83945011
1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid
CID 83963535
1-(oxan-2-ylmethyl)indole-6-carboxylic acid
CID 63936403
1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid
CID 23073174
1-(cyclopropylmethyl)-6-fluoroindole-3-carboxylic acid
CID 23073204

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride?
The IUPAC name of 1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride (CID 67637530) is 1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride is Cc1cn(CC2CCCC2)c2cc(C(=O)O)ccc12.Cl.
What is the InChIKey of 1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride?
The InChIKey is ILFKZQOVRVJGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.ClH/c1-11-9-17(10-12-4-2-3-5-12)15-8-13(16(18)19)6-7-14(11)15;/h6-9,12H,2-5,10H2,1H3,(H,18,19);1H.
What are the key properties of 1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride?
1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride has a molecular weight of 293.79 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 67637530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).