1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone

C13H16N2O2 — CID 63282171

IUPAC1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
SMILESO=C(CN1CC(O)C1)N1CCc2ccccc21
InChIInChI=1S/C13H16N2O2/c16-11-7-14(8-11)9-13(17)15-6-5-10-3-1-2-4-12(10)15/h1-4,11,16H,5-9H2
InChIKeySDXUCPRVEPMARH-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.25
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone

1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone (PubChem CID 63282171) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
PubChem CID63282171
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
SMILESO=C(CN1CC(O)C1)N1CCc2ccccc21
InChIInChI=1S/C13H16N2O2/c16-11-7-14(8-11)9-13(17)15-6-5-10-3-1-2-4-12(10)15/h1-4,11,16H,5-9H2
InChIKeySDXUCPRVEPMARH-UHFFFAOYSA-N
XLogP0.25
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78790849
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60645184
1-(2,3-dihydroindol-1-yl)-2-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 171326862
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119933655
1-(2,3-dihydroindol-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 55064419
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119905160
1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone
CID 163306632
2-[[(3S,4R)-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-hydroxypyrrolidin-3-yl]-methylamino]acetic acid
CID 129346397
2-[[(3R,4R)-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-hydroxypyrrolidin-3-yl]-methylamino]acetic acid
CID 129346396
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone
CID 99778930
1-(2,3-dihydroindol-1-yl)-2-[(2S,6R)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone
CID 99778929

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone (CID 63282171) is 1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone is O=C(CN1CC(O)C1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone?
The InChIKey is SDXUCPRVEPMARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-11-7-14(8-11)9-13(17)15-6-5-10-3-1-2-4-12(10)15/h1-4,11,16H,5-9H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 232.28 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 63282171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).