6,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one

C9H16N2O — CID 59793775

IUPAC6,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one
SMILESCC1C(=O)CC2CNCC1N2C
InChIInChI=1S/C9H16N2O/c1-6-8-5-10-4-7(11(8)2)3-9(6)12/h6-8,10H,3-5H2,1-2H3
InChIKeyJLUWBDHTYQASBQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.13
Rot. Bonds

About 6,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one

6,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one (PubChem CID 59793775) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 6,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one.

Molecular Properties

Compound Name6,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one
PubChem CID59793775
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name6,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one
SMILESCC1C(=O)CC2CNCC1N2C
InChIInChI=1S/C9H16N2O/c1-6-8-5-10-4-7(11(8)2)3-9(6)12/h6-8,10H,3-5H2,1-2H3
InChIKeyJLUWBDHTYQASBQ-UHFFFAOYSA-N
XLogP-0.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The IUPAC name of 6,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one (CID 59793775) is 6,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one.
What is the SMILES notation for 6,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The canonical SMILES for 6,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one is CC1C(=O)CC2CNCC1N2C.
What is the InChIKey of 6,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The InChIKey is JLUWBDHTYQASBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6-8-5-10-4-7(11(8)2)3-9(6)12/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 6,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
6,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one has a molecular weight of 168.24 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one is sourced from PubChem (CID 59793775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).