1-(2,3-dihydroindol-1-yl)-2-phenoxyethanone

C16H15NO2 — CID 730643

IUPAC1-(2,3-dihydroindol-1-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C16H15NO2/c18-16(12-19-14-7-2-1-3-8-14)17-11-10-13-6-4-5-9-15(13)17/h1-9H,10-12H2
InChIKeyHZNJZXDUXCEMRI-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.65
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-phenoxyethanone

1-(2,3-dihydroindol-1-yl)-2-phenoxyethanone (PubChem CID 730643) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-phenoxyethanone
PubChem CID730643
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C16H15NO2/c18-16(12-19-14-7-2-1-3-8-14)17-11-10-13-6-4-5-9-15(13)17/h1-9H,10-12H2
InChIKeyHZNJZXDUXCEMRI-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-phenoxyethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-phenoxyethanone (CID 730643) is 1-(2,3-dihydroindol-1-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-phenoxyethanone is O=C(COc1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-phenoxyethanone?
The InChIKey is HZNJZXDUXCEMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16(12-19-14-7-2-1-3-8-14)17-11-10-13-6-4-5-9-15(13)17/h1-9H,10-12H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-phenoxyethanone?
1-(2,3-dihydroindol-1-yl)-2-phenoxyethanone has a molecular weight of 253.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-phenoxyethanone is sourced from PubChem (CID 730643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).