2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile

C18H16N2O2 — CID 4303205

IUPAC2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile
SMILESCC1Cc2ccccc2N1C(=O)COc1ccccc1C#N
InChIInChI=1S/C18H16N2O2/c1-13-10-14-6-2-4-8-16(14)20(13)18(21)12-22-17-9-5-3-7-15(17)11-19/h2-9,13H,10,12H2,1H3
InChIKeyANHAXVVSVDBDNG-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.91
Rot. Bonds3

About 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile

2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile (PubChem CID 4303205) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile
PubChem CID4303205
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile
SMILESCC1Cc2ccccc2N1C(=O)COc1ccccc1C#N
InChIInChI=1S/C18H16N2O2/c1-13-10-14-6-2-4-8-16(14)20(13)18(21)12-22-17-9-5-3-7-15(17)11-19/h2-9,13H,10,12H2,1H3
InChIKeyANHAXVVSVDBDNG-UHFFFAOYSA-N
XLogP2.91
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9275501
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
CID 19798381
4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile
CID 7670955
N-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 7867316
3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 2444567
3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 2444569
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone
CID 3257964
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-cyanobenzoate
CID 2626241
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one
CID 99820097
2-(4-chloro-3,5-dimethylphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 903888

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile?
The IUPAC name of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile (CID 4303205) is 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile?
The canonical SMILES for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile is CC1Cc2ccccc2N1C(=O)COc1ccccc1C#N.
What is the InChIKey of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile?
The InChIKey is ANHAXVVSVDBDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-10-14-6-2-4-8-16(14)20(13)18(21)12-22-17-9-5-3-7-15(17)11-19/h2-9,13H,10,12H2,1H3.
What are the key properties of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile?
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile has a molecular weight of 292.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 4303205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).