2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one

C20H20N2O — CID 11601914

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(N3CCN4CCC3CC4)cc21
InChIInChI=1S/C20H20N2O/c23-20-18-4-2-1-3-16(18)17-6-5-15(13-19(17)20)22-12-11-21-9-7-14(22)8-10-21/h1-6,13-14H,7-12H2
InChIKeyKOVCPNOLEWZVCU-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.18
Rot. Bonds1

About 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one (PubChem CID 11601914) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one
PubChem CID11601914
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(N3CCN4CCC3CC4)cc21
InChIInChI=1S/C20H20N2O/c23-20-18-4-2-1-3-16(18)17-6-5-15(13-19(17)20)22-12-11-21-9-7-14(22)8-10-21/h1-6,13-14H,7-12H2
InChIKeyKOVCPNOLEWZVCU-UHFFFAOYSA-N
XLogP3.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one 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 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one (CID 11601914) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one is O=C1c2ccccc2-c2ccc(N3CCN4CCC3CC4)cc21.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one?
The InChIKey is KOVCPNOLEWZVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c23-20-18-4-2-1-3-16(18)17-6-5-15(13-19(17)20)22-12-11-21-9-7-14(22)8-10-21/h1-6,13-14H,7-12H2.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one has a molecular weight of 304.39 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one is sourced from PubChem (CID 11601914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).