1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3H-indol-2-one

C17H22N2O — CID 42602880

IUPAC1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3H-indol-2-one
SMILESCN1C2CCCC1CC(N1C(=O)Cc3ccccc31)C2
InChIInChI=1S/C17H22N2O/c1-18-13-6-4-7-14(18)11-15(10-13)19-16-8-3-2-5-12(16)9-17(19)20/h2-3,5,8,13-15H,4,6-7,9-11H2,1H3
InChIKeyGIDZCNCCCWFCIN-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.59
Rot. Bonds1

About 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3H-indol-2-one

1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3H-indol-2-one (PubChem CID 42602880) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3H-indol-2-one
PubChem CID42602880
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3H-indol-2-one
SMILESCN1C2CCCC1CC(N1C(=O)Cc3ccccc31)C2
InChIInChI=1S/C17H22N2O/c1-18-13-6-4-7-14(18)11-15(10-13)19-16-8-3-2-5-12(16)9-17(19)20/h2-3,5,8,13-15H,4,6-7,9-11H2,1H3
InChIKeyGIDZCNCCCWFCIN-UHFFFAOYSA-N
XLogP2.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3H-indol-2-one?
The IUPAC name of 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3H-indol-2-one (CID 42602880) is 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3H-indol-2-one.
What is the SMILES notation for 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3H-indol-2-one?
The canonical SMILES for 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3H-indol-2-one is CN1C2CCCC1CC(N1C(=O)Cc3ccccc31)C2.
What is the InChIKey of 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3H-indol-2-one?
The InChIKey is GIDZCNCCCWFCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-13-6-4-7-14(18)11-15(10-13)19-16-8-3-2-5-12(16)9-17(19)20/h2-3,5,8,13-15H,4,6-7,9-11H2,1H3.
What are the key properties of 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3H-indol-2-one?
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3H-indol-2-one has a molecular weight of 270.38 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3H-indol-2-one is sourced from PubChem (CID 42602880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).