3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol

C15H20N2O — CID 65042082

IUPAC3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(C2NCc3ccccc32)CC2CCC(C1)N2
InChIInChI=1S/C15H20N2O/c18-15(7-11-5-6-12(8-15)17-11)14-13-4-2-1-3-10(13)9-16-14/h1-4,11-12,14,16-18H,5-9H2
InChIKeyGRLHYVUSZCVKMR-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.48
Rot. Bonds1

About 3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol

3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 65042082) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID65042082
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(C2NCc3ccccc32)CC2CCC(C1)N2
InChIInChI=1S/C15H20N2O/c18-15(7-11-5-6-12(8-15)17-11)14-13-4-2-1-3-10(13)9-16-14/h1-4,11-12,14,16-18H,5-9H2
InChIKeyGRLHYVUSZCVKMR-UHFFFAOYSA-N
XLogP1.48
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 65042082) is 3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(C2NCc3ccccc32)CC2CCC(C1)N2.
What is the InChIKey of 3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is GRLHYVUSZCVKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15(7-11-5-6-12(8-15)17-11)14-13-4-2-1-3-10(13)9-16-14/h1-4,11-12,14,16-18H,5-9H2.
What are the key properties of 3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 244.34 g/mol, XLogP of 1.48, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 65042082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).