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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171965027
7-[2-(difluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171961917
7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171954455
7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171951809
2-[(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methyl]benzonitrile
CID 171960760
7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171959249
7-[2-(difluoromethoxy)-6-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963428
7-pyrazolo[1,5-a]pyrimidin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171959788
7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963875
7-isoquinolin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171956130
7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171953735
4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-phenylmethoxybenzonitrile
CID 171953386

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).