1-(2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone

C15H19NO2 — CID 91918177

IUPAC1-(2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)N1CCc2ccccc21
InChIInChI=1S/C15H19NO2/c17-15(11-12-6-9-18-10-7-12)16-8-5-13-3-1-2-4-14(13)16/h1-4,12H,5-11H2
InChIKeyIFSOCAVZACBPJF-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.39
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone

1-(2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone (PubChem CID 91918177) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone
PubChem CID91918177
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)N1CCc2ccccc21
InChIInChI=1S/C15H19NO2/c17-15(11-12-6-9-18-10-7-12)16-8-5-13-3-1-2-4-14(13)16/h1-4,12H,5-11H2
InChIKeyIFSOCAVZACBPJF-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.39
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-(oxan-4-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone (CID 91918177) is 1-(2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone is O=C(CC1CCOCC1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is IFSOCAVZACBPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(11-12-6-9-18-10-7-12)16-8-5-13-3-1-2-4-14(13)16/h1-4,12H,5-11H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 245.32 g/mol, XLogP of 2.39, 2 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-(oxan-4-yl)ethanone is sourced from PubChem (CID 91918177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).