1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone

C15H19NO — CID 115106312

IUPAC1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone
SMILESCC(=O)C1Cc2ccccc2N1CC1CCC1
InChIInChI=1S/C15H19NO/c1-11(17)15-9-13-7-2-3-8-14(13)16(15)10-12-5-4-6-12/h2-3,7-8,12,15H,4-6,9-10H2,1H3
InChIKeyYVDRRIKTJIBYOX-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.81
Rot. Bonds3

About 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone

1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone (PubChem CID 115106312) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone
PubChem CID115106312
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone
SMILESCC(=O)C1Cc2ccccc2N1CC1CCC1
InChIInChI=1S/C15H19NO/c1-11(17)15-9-13-7-2-3-8-14(13)16(15)10-12-5-4-6-12/h2-3,7-8,12,15H,4-6,9-10H2,1H3
InChIKeyYVDRRIKTJIBYOX-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-propyl-2,3-dihydroindol-2-yl)ethanone
CID 115106307
3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid
CID 115106341
2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol
CID 115106208
(2S)-1-(piperidin-4-ylmethyl)-2,3-dihydroindole-2-carboxamide;hydrochloride
CID 119930985
ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone
CID 145087569
[1-(cyclopentylmethyl)-2,3-dihydroindol-2-yl]methanamine
CID 115106249
1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde
CID 115106309
2-acetyl-2,3-dihydroindole-1-sulfonic acid
CID 70189483
(2S)-1-[cyclobutylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 62856962
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 136580467
methyl (2S)-1-[1-(cyclobutylmethyl)-6-oxopyridazin-3-yl]-2,3-dihydroindole-2-carboxylate
CID 140528538

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone?
The IUPAC name of 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone (CID 115106312) is 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone?
The canonical SMILES for 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone is CC(=O)C1Cc2ccccc2N1CC1CCC1.
What is the InChIKey of 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone?
The InChIKey is YVDRRIKTJIBYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11(17)15-9-13-7-2-3-8-14(13)16(15)10-12-5-4-6-12/h2-3,7-8,12,15H,4-6,9-10H2,1H3.
What are the key properties of 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone?
1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone has a molecular weight of 229.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone is sourced from PubChem (CID 115106312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).