1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone

C19H26N2O — CID 70965670

IUPAC1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone
SMILESCN1CC(CC(=O)N2CC3CCC(CC3)C2)c2ccccc21
InChIInChI=1S/C19H26N2O/c1-20-13-16(17-4-2-3-5-18(17)20)10-19(22)21-11-14-6-7-15(12-21)9-8-14/h2-5,14-16H,6-13H2,1H3
InChIKeyBDCRUXPSLCIBOP-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.26
Rot. Bonds2

About 1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone

1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone (PubChem CID 70965670) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone
PubChem CID70965670
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone
SMILESCN1CC(CC(=O)N2CC3CCC(CC3)C2)c2ccccc21
InChIInChI=1S/C19H26N2O/c1-20-13-16(17-4-2-3-5-18(17)20)10-19(22)21-11-14-6-7-15(12-21)9-8-14/h2-5,14-16H,6-13H2,1H3
InChIKeyBDCRUXPSLCIBOP-UHFFFAOYSA-N
XLogP3.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone?
The IUPAC name of 1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone (CID 70965670) is 1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone.
What is the SMILES notation for 1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone?
The canonical SMILES for 1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone is CN1CC(CC(=O)N2CC3CCC(CC3)C2)c2ccccc21.
What is the InChIKey of 1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone?
The InChIKey is BDCRUXPSLCIBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-20-13-16(17-4-2-3-5-18(17)20)10-19(22)21-11-14-6-7-15(12-21)9-8-14/h2-5,14-16H,6-13H2,1H3.
What are the key properties of 1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone?
1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone has a molecular weight of 298.43 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone is sourced from PubChem (CID 70965670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).