1-[1-(cyclopentylmethyl)indol-6-yl]ethanone

C16H19NO — CID 115106717

IUPAC1-[1-(cyclopentylmethyl)indol-6-yl]ethanone
SMILESCC(=O)c1ccc2ccn(CC3CCCC3)c2c1
InChIInChI=1S/C16H19NO/c1-12(18)15-7-6-14-8-9-17(16(14)10-15)11-13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3
InChIKeyBRGHXCMLCRXQJN-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.03
Rot. Bonds3

About 1-[1-(cyclopentylmethyl)indol-6-yl]ethanone

1-[1-(cyclopentylmethyl)indol-6-yl]ethanone (PubChem CID 115106717) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)indol-6-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)indol-6-yl]ethanone
PubChem CID115106717
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-[1-(cyclopentylmethyl)indol-6-yl]ethanone
SMILESCC(=O)c1ccc2ccn(CC3CCCC3)c2c1
InChIInChI=1S/C16H19NO/c1-12(18)15-7-6-14-8-9-17(16(14)10-15)11-13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3
InChIKeyBRGHXCMLCRXQJN-UHFFFAOYSA-N
XLogP4.03
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide
CID 107917535
1-(oxan-2-ylmethyl)indole-6-carboxylic acid
CID 63936403
1-(cyclobutylmethyl)indol-6-amine
CID 65457807
1-(1-cyclopentylindol-5-yl)ethanone
CID 115115492
[1-(cyclopropylmethyl)indol-6-yl]methanol
CID 28958289
ethyl 6-acetylindole-1-carboxylate
CID 12925082
1-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]ethanone
CID 142973004
1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine
CID 115106688
1-(cyclopentylmethyl)-5-propan-2-yloxyindole
CID 116625784
1-[1-(cyclopentylmethyl)indol-5-yl]propan-2-ol
CID 115106762
1-(cyclohexylmethyl)indole-5-carbaldehyde
CID 102910537
2-[1-(cyclopentylmethyl)indol-5-yl]ethanol
CID 115106761

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)indol-6-yl]ethanone?
The IUPAC name of 1-[1-(cyclopentylmethyl)indol-6-yl]ethanone (CID 115106717) is 1-[1-(cyclopentylmethyl)indol-6-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)indol-6-yl]ethanone?
The canonical SMILES for 1-[1-(cyclopentylmethyl)indol-6-yl]ethanone is CC(=O)c1ccc2ccn(CC3CCCC3)c2c1.
What is the InChIKey of 1-[1-(cyclopentylmethyl)indol-6-yl]ethanone?
The InChIKey is BRGHXCMLCRXQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12(18)15-7-6-14-8-9-17(16(14)10-15)11-13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3.
What are the key properties of 1-[1-(cyclopentylmethyl)indol-6-yl]ethanone?
1-[1-(cyclopentylmethyl)indol-6-yl]ethanone has a molecular weight of 241.33 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)indol-6-yl]ethanone is sourced from PubChem (CID 115106717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).