1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone

C14H15NO2 — CID 83918329

IUPAC1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2cccc(OC3CCC3)c12
InChIInChI=1S/C14H15NO2/c1-9(16)11-8-15-12-6-3-7-13(14(11)12)17-10-4-2-5-10/h3,6-8,10,15H,2,4-5H2,1H3
InChIKeyVXXNYONTGSCPQL-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.30
Rot. Bonds3

About 1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone

1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone (PubChem CID 83918329) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone
PubChem CID83918329
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2cccc(OC3CCC3)c12
InChIInChI=1S/C14H15NO2/c1-9(16)11-8-15-12-6-3-7-13(14(11)12)17-10-4-2-5-10/h3,6-8,10,15H,2,4-5H2,1H3
InChIKeyVXXNYONTGSCPQL-UHFFFAOYSA-N
XLogP3.30
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenylmethoxy-1H-indol-3-yl)ethanone
CID 158905078
6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone
CID 83164068
cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone
CID 83162479
2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one
CID 83163402
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
(E)-3-(4-methoxy-1H-indol-3-yl)but-2-enoic acid
CID 82277542
1-(2-cyclopentyloxy-3-methylphenyl)ethanone
CID 82079338
1-[2-(4-aminocyclohexyl)oxyphenyl]ethanone
CID 117051794
1-(2-chloro-6-cyclopropyloxyphenyl)ethanone
CID 144572447
1-(4-methoxy-1H-indol-3-yl)butan-1-one
CID 83163491
2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 166169676
1-(4-bromo-2-cyclopentyloxyphenyl)ethanone
CID 70085923

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone (CID 83918329) is 1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone is CC(=O)c1c[nH]c2cccc(OC3CCC3)c12.
What is the InChIKey of 1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone?
The InChIKey is VXXNYONTGSCPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9(16)11-8-15-12-6-3-7-13(14(11)12)17-10-4-2-5-10/h3,6-8,10,15H,2,4-5H2,1H3.
What are the key properties of 1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone?
1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone has a molecular weight of 229.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 83918329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).