(5S)-9,9-dimethyl-6-phenyl-3,6-diazabicyclo[3.2.2]nonan-2-one

C15H20N2O — CID 155220736

IUPAC(5S)-9,9-dimethyl-6-phenyl-3,6-diazabicyclo[3.2.2]nonan-2-one
SMILESCC1(C)CC2CN(c3ccccc3)[C@@H]1CNC2=O
InChIInChI=1S/C15H20N2O/c1-15(2)8-11-10-17(12-6-4-3-5-7-12)13(15)9-16-14(11)18/h3-7,11,13H,8-10H2,1-2H3,(H,16,18)/t11?,13-/m1/s1
InChIKeyWHMGXLZMWTWKPL-GLGOKHISSA-N
MW244.34 g/mol
LogP2.04
Rot. Bonds1

About (5S)-9,9-dimethyl-6-phenyl-3,6-diazabicyclo[3.2.2]nonan-2-one

(5S)-9,9-dimethyl-6-phenyl-3,6-diazabicyclo[3.2.2]nonan-2-one (PubChem CID 155220736) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (5S)-9,9-dimethyl-6-phenyl-3,6-diazabicyclo[3.2.2]nonan-2-one.

Molecular Properties

Compound Name(5S)-9,9-dimethyl-6-phenyl-3,6-diazabicyclo[3.2.2]nonan-2-one
PubChem CID155220736
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(5S)-9,9-dimethyl-6-phenyl-3,6-diazabicyclo[3.2.2]nonan-2-one
SMILESCC1(C)CC2CN(c3ccccc3)[C@@H]1CNC2=O
InChIInChI=1S/C15H20N2O/c1-15(2)8-11-10-17(12-6-4-3-5-7-12)13(15)9-16-14(11)18/h3-7,11,13H,8-10H2,1-2H3,(H,16,18)/t11?,13-/m1/s1
InChIKeyWHMGXLZMWTWKPL-GLGOKHISSA-N
XLogP2.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-9,9-dimethyl-6-phenyl-3,6-diazabicyclo[3.2.2]nonan-2-one?
The IUPAC name of (5S)-9,9-dimethyl-6-phenyl-3,6-diazabicyclo[3.2.2]nonan-2-one (CID 155220736) is (5S)-9,9-dimethyl-6-phenyl-3,6-diazabicyclo[3.2.2]nonan-2-one.
What is the SMILES notation for (5S)-9,9-dimethyl-6-phenyl-3,6-diazabicyclo[3.2.2]nonan-2-one?
The canonical SMILES for (5S)-9,9-dimethyl-6-phenyl-3,6-diazabicyclo[3.2.2]nonan-2-one is CC1(C)CC2CN(c3ccccc3)[C@@H]1CNC2=O.
What is the InChIKey of (5S)-9,9-dimethyl-6-phenyl-3,6-diazabicyclo[3.2.2]nonan-2-one?
The InChIKey is WHMGXLZMWTWKPL-GLGOKHISSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2)8-11-10-17(12-6-4-3-5-7-12)13(15)9-16-14(11)18/h3-7,11,13H,8-10H2,1-2H3,(H,16,18)/t11?,13-/m1/s1.
What are the key properties of (5S)-9,9-dimethyl-6-phenyl-3,6-diazabicyclo[3.2.2]nonan-2-one?
(5S)-9,9-dimethyl-6-phenyl-3,6-diazabicyclo[3.2.2]nonan-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9,9-dimethyl-6-phenyl-3,6-diazabicyclo[3.2.2]nonan-2-one is sourced from PubChem (CID 155220736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).