1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one

C17H18N2O2 — CID 110863873

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one
SMILESCC1Cc2ccccc2N1C(=O)CCOc1cccnc1
InChIInChI=1S/C17H18N2O2/c1-13-11-14-5-2-3-7-16(14)19(13)17(20)8-10-21-15-6-4-9-18-12-15/h2-7,9,12-13H,8,10-11H2,1H3
InChIKeyWTRATKLLUGUZFJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.83
Rot. Bonds4

About 1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one

1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one (PubChem CID 110863873) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one
PubChem CID110863873
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one
SMILESCC1Cc2ccccc2N1C(=O)CCOc1cccnc1
InChIInChI=1S/C17H18N2O2/c1-13-11-14-5-2-3-7-16(14)19(13)17(20)8-10-21-15-6-4-9-18-12-15/h2-7,9,12-13H,8,10-11H2,1H3
InChIKeyWTRATKLLUGUZFJ-UHFFFAOYSA-N
XLogP2.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 134016689
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 9413327
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 9413325
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 113139993
1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 24790940
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39080997
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39080998
3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109015312
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] pyridine-4-carboxylate
CID 7889736
2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 108506767
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one (CID 110863873) is 1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one is CC1Cc2ccccc2N1C(=O)CCOc1cccnc1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one?
The InChIKey is WTRATKLLUGUZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-11-14-5-2-3-7-16(14)19(13)17(20)8-10-21-15-6-4-9-18-12-15/h2-7,9,12-13H,8,10-11H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one?
1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one has a molecular weight of 282.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one is sourced from PubChem (CID 110863873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).