1-[(2R)-2-butyl-6-methoxy-2,3-dihydroindol-1-yl]ethanone

C15H21NO2 — CID 15445699

IUPAC1-[(2R)-2-butyl-6-methoxy-2,3-dihydroindol-1-yl]ethanone
SMILESCCCC[C@@H]1Cc2ccc(OC)cc2N1C(C)=O
InChIInChI=1S/C15H21NO2/c1-4-5-6-13-9-12-7-8-14(18-3)10-15(12)16(13)11(2)17/h7-8,10,13H,4-6,9H2,1-3H3/t13-/m1/s1
InChIKeyFFNJQMSIFPALHC-CYBMUJFWSA-N
MW247.34 g/mol
LogP3.16
Rot. Bonds4

About 1-[(2R)-2-butyl-6-methoxy-2,3-dihydroindol-1-yl]ethanone

1-[(2R)-2-butyl-6-methoxy-2,3-dihydroindol-1-yl]ethanone (PubChem CID 15445699) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(2R)-2-butyl-6-methoxy-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-butyl-6-methoxy-2,3-dihydroindol-1-yl]ethanone
PubChem CID15445699
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[(2R)-2-butyl-6-methoxy-2,3-dihydroindol-1-yl]ethanone
SMILESCCCC[C@@H]1Cc2ccc(OC)cc2N1C(C)=O
InChIInChI=1S/C15H21NO2/c1-4-5-6-13-9-12-7-8-14(18-3)10-15(12)16(13)11(2)17/h7-8,10,13H,4-6,9H2,1-3H3/t13-/m1/s1
InChIKeyFFNJQMSIFPALHC-CYBMUJFWSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,3S)-3-butyl-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-yn-1-one
CID 171054000
3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117201453
1-[(3S)-3-benzyl-6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 101377126
1-[(1R,3S)-3-butyl-6-methoxy-1-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-trimethylsilylprop-2-yn-1-one
CID 155617954
ethyl (E)-3-[1-(dimethylcarbamoyl)-6-methoxy-2,3-dihydroindol-2-yl]prop-2-enoate
CID 134941228
1-[(1S,3S)-3-butyl-1-(4-fluorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-trimethylsilylprop-2-yn-1-one
CID 155617973
4-[(1S,3S)-3-butyl-6-methoxy-2-propanoyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-cyclopropylbenzamide
CID 175209570
1-(6-methoxy-2,3-dihydroindol-1-yl)butane-1,3-dione
CID 19612116
2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol
CID 117201471
butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 91310287
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110662982
1-[(1R,10R,12R,18R,19R)-19-ethyl-6-methoxy-9,15-diazapentacyclo[10.5.2.01,10.03,8.015,18]nonadeca-3(8),4,6-trien-9-yl]ethanone
CID 22296362

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-butyl-6-methoxy-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-butyl-6-methoxy-2,3-dihydroindol-1-yl]ethanone (CID 15445699) is 1-[(2R)-2-butyl-6-methoxy-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-butyl-6-methoxy-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-butyl-6-methoxy-2,3-dihydroindol-1-yl]ethanone is CCCC[C@@H]1Cc2ccc(OC)cc2N1C(C)=O.
What is the InChIKey of 1-[(2R)-2-butyl-6-methoxy-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is FFNJQMSIFPALHC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-5-6-13-9-12-7-8-14(18-3)10-15(12)16(13)11(2)17/h7-8,10,13H,4-6,9H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-butyl-6-methoxy-2,3-dihydroindol-1-yl]ethanone?
1-[(2R)-2-butyl-6-methoxy-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-butyl-6-methoxy-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 15445699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).