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

C12H15NO2 — CID 2163142

IUPAC1-(2,3-dihydroindol-1-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-2-15-9-12(14)13-8-7-10-5-3-4-6-11(10)13/h3-6H,2,7-9H2,1H3
InChIKeyMJHIWICCXBPGFM-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.61
Rot. Bonds3

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

1-(2,3-dihydroindol-1-yl)-2-ethoxyethanone (PubChem CID 2163142) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-ethoxyethanone
PubChem CID2163142
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-2-15-9-12(14)13-8-7-10-5-3-4-6-11(10)13/h3-6H,2,7-9H2,1H3
InChIKeyMJHIWICCXBPGFM-UHFFFAOYSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.61
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-ethoxyethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-ethoxyethanone (CID 2163142) is 1-(2,3-dihydroindol-1-yl)-2-ethoxyethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-ethoxyethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-ethoxyethanone is CCOCC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-ethoxyethanone?
The InChIKey is MJHIWICCXBPGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-15-9-12(14)13-8-7-10-5-3-4-6-11(10)13/h3-6H,2,7-9H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-ethoxyethanone?
1-(2,3-dihydroindol-1-yl)-2-ethoxyethanone has a molecular weight of 205.26 g/mol, XLogP of 1.61, 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-ethoxyethanone is sourced from PubChem (CID 2163142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).