3-(3H-inden-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol

C17H21NO — CID 171960102

IUPAC3-(3H-inden-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(c2cccc3c2CC=C3)CC2CCCC(C1)N2
InChIInChI=1S/C17H21NO/c19-17(10-13-6-3-7-14(11-17)18-13)16-9-2-5-12-4-1-8-15(12)16/h1-2,4-5,9,13-14,18-19H,3,6-8,10-11H2
InChIKeyYCTVQGBXZCUADP-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.75
Rot. Bonds1

About 3-(3H-inden-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(3H-inden-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171960102) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(3H-inden-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(3H-inden-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171960102
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-(3H-inden-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(c2cccc3c2CC=C3)CC2CCCC(C1)N2
InChIInChI=1S/C17H21NO/c19-17(10-13-6-3-7-14(11-17)18-13)16-9-2-5-12-4-1-8-15(12)16/h1-2,4-5,9,13-14,18-19H,3,6-8,10-11H2
InChIKeyYCTVQGBXZCUADP-UHFFFAOYSA-N
XLogP2.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3H-inden-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3H-inden-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(3H-inden-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171960102) is 3-(3H-inden-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(3H-inden-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(3H-inden-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol is OC1(c2cccc3c2CC=C3)CC2CCCC(C1)N2.
What is the InChIKey of 3-(3H-inden-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is YCTVQGBXZCUADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-17(10-13-6-3-7-14(11-17)18-13)16-9-2-5-12-4-1-8-15(12)16/h1-2,4-5,9,13-14,18-19H,3,6-8,10-11H2.
What are the key properties of 3-(3H-inden-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(3H-inden-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 255.36 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-inden-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171960102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).