4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one

C17H21NO — CID 11817694

IUPAC4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one
SMILESO=C(CCC1CCCC1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H21NO/c19-15(10-9-13-5-1-2-6-13)11-14-12-18-17-8-4-3-7-16(14)17/h3-4,7-8,12-13,18H,1-2,5-6,9-11H2
InChIKeyXQOFTHSQUNGXHQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.25
Rot. Bonds5

About 4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one

4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one (PubChem CID 11817694) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one.

Molecular Properties

Compound Name4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one
PubChem CID11817694
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one
SMILESO=C(CCC1CCCC1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H21NO/c19-15(10-9-13-5-1-2-6-13)11-14-12-18-17-8-4-3-7-16(14)17/h3-4,7-8,12-13,18H,1-2,5-6,9-11H2
InChIKeyXQOFTHSQUNGXHQ-UHFFFAOYSA-N
XLogP4.25
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
CID 43339260
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1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108888651
N-cyclopentyloxy-2-(1H-indol-3-yl)acetamide
CID 83202752
N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide
CID 91562917
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
CID 119956583
1-(2-bromophenyl)-4-cyclohexylbutan-2-one
CID 114962504
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
2-(3-cyclopentylpropanoylamino)-N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 155514906
N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
CID 68709397
3a,4,5,6,7,7a-hexahydroindene-1,2,3-trione;2-(1H-indol-3-yl)acetohydrazide;hydrate
CID 77349115

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one?
The IUPAC name of 4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one (CID 11817694) is 4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one.
What is the SMILES notation for 4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one?
The canonical SMILES for 4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one is O=C(CCC1CCCC1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one?
The InChIKey is XQOFTHSQUNGXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-15(10-9-13-5-1-2-6-13)11-14-12-18-17-8-4-3-7-16(14)17/h3-4,7-8,12-13,18H,1-2,5-6,9-11H2.
What are the key properties of 4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one?
4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one has a molecular weight of 255.36 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one is sourced from PubChem (CID 11817694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).