7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C16H19NO2 — CID 171960136

IUPAC7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(C2=Cc3ccccc3C2)CC2COCC(C1)N2
InChIInChI=1S/C16H19NO2/c18-16(7-14-9-19-10-15(8-16)17-14)13-5-11-3-1-2-4-12(11)6-13/h1-5,14-15,17-18H,6-10H2
InChIKeyKIZGIZHVGLHYPW-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.51
Rot. Bonds1

About 7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171960136) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171960136
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(C2=Cc3ccccc3C2)CC2COCC(C1)N2
InChIInChI=1S/C16H19NO2/c18-16(7-14-9-19-10-15(8-16)17-14)13-5-11-3-1-2-4-12(11)6-13/h1-5,14-15,17-18H,6-10H2
InChIKeyKIZGIZHVGLHYPW-UHFFFAOYSA-N
XLogP1.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171960136) is 7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is OC1(C2=Cc3ccccc3C2)CC2COCC(C1)N2.
What is the InChIKey of 7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is KIZGIZHVGLHYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-16(7-14-9-19-10-15(8-16)17-14)13-5-11-3-1-2-4-12(11)6-13/h1-5,14-15,17-18H,6-10H2.
What are the key properties of 7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 257.33 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171960136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).