2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone

C16H20N2O3 — CID 110681914

IUPAC2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone
SMILESCC(=O)N1CC(CC(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C16H20N2O3/c1-12(19)18-11-13(14-4-2-3-5-15(14)18)10-16(20)17-6-8-21-9-7-17/h2-5,13H,6-11H2,1H3
InChIKeyIIDFPJHTNHGYMN-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.39
Rot. Bonds2

About 2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone

2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone (PubChem CID 110681914) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone
PubChem CID110681914
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone
SMILESCC(=O)N1CC(CC(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C16H20N2O3/c1-12(19)18-11-13(14-4-2-3-5-15(14)18)10-16(20)17-6-8-21-9-7-17/h2-5,13H,6-11H2,1H3
InChIKeyIIDFPJHTNHGYMN-UHFFFAOYSA-N
XLogP1.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone (CID 110681914) is 2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone is CC(=O)N1CC(CC(=O)N2CCOCC2)c2ccccc21.
What is the InChIKey of 2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone?
The InChIKey is IIDFPJHTNHGYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(19)18-11-13(14-4-2-3-5-15(14)18)10-16(20)17-6-8-21-9-7-17/h2-5,13H,6-11H2,1H3.
What are the key properties of 2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone?
2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone has a molecular weight of 288.35 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 110681914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).