3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one

C9H16N2O — CID 19786409

IUPAC3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one
SMILESCN1CC2CC(=O)CC(C1)N2C
InChIInChI=1S/C9H16N2O/c1-10-5-7-3-9(12)4-8(6-10)11(7)2/h7-8H,3-6H2,1-2H3
InChIKeyRWTIGSVLCKEUPK-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.04
Rot. Bonds

About 3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one

3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one (PubChem CID 19786409) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one.

Molecular Properties

Compound Name3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one
PubChem CID19786409
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one
SMILESCN1CC2CC(=O)CC(C1)N2C
InChIInChI=1S/C9H16N2O/c1-10-5-7-3-9(12)4-8(6-10)11(7)2/h7-8H,3-6H2,1-2H3
InChIKeyRWTIGSVLCKEUPK-UHFFFAOYSA-N
XLogP-0.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-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 3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The IUPAC name of 3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one (CID 19786409) is 3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one.
What is the SMILES notation for 3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The canonical SMILES for 3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one is CN1CC2CC(=O)CC(C1)N2C.
What is the InChIKey of 3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The InChIKey is RWTIGSVLCKEUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-10-5-7-3-9(12)4-8(6-10)11(7)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one has a molecular weight of 168.24 g/mol, XLogP of -0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one is sourced from PubChem (CID 19786409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).