3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one

C15H19N3O2 — CID 66394059

IUPAC3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N3CC4CCC(C3)O4)ccc21
InChIInChI=1S/C15H19N3O2/c1-16-14-12-5-2-9(6-13(12)17-15(14)19)18-7-10-3-4-11(8-18)20-10/h2,5-6,10-11,14,16H,3-4,7-8H2,1H3,(H,17,19)
InChIKeyYXTFAOFOUOIBTO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.27
Rot. Bonds2

About 3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one

3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one (PubChem CID 66394059) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one
PubChem CID66394059
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N3CC4CCC(C3)O4)ccc21
InChIInChI=1S/C15H19N3O2/c1-16-14-12-5-2-9(6-13(12)17-15(14)19)18-7-10-3-4-11(8-18)20-10/h2,5-6,10-11,14,16H,3-4,7-8H2,1H3,(H,17,19)
InChIKeyYXTFAOFOUOIBTO-UHFFFAOYSA-N
XLogP1.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one (CID 66394059) is 3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(N3CC4CCC(C3)O4)ccc21.
What is the InChIKey of 3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one?
The InChIKey is YXTFAOFOUOIBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-16-14-12-5-2-9(6-13(12)17-15(14)19)18-7-10-3-4-11(8-18)20-10/h2,5-6,10-11,14,16H,3-4,7-8H2,1H3,(H,17,19).
What are the key properties of 3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one?
3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 66394059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).