(1r*,5s*)-3,6-Diazabicyclo[3.2.2]nonan-7-one

• Catalog Number: ACMA00001463
• Category: Amines
• Molecular Weight: 140.18
• Molecular Formula: C₇H₁₀N₂
• Hazard Statements: H302-H315-H318-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is (1R,5S)-3,6-diazabicyclo[3.2.2]nonan-7-one.

What is the molecular formula of the compound?

The molecular formula of the compound is C7H12N2O.

What is the molecular weight of the compound?

The molecular weight of the compound is 140.18 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C7H12N2O/c10-7-5-1-2-6(9-7)4-8-3-5/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m1/s1.

What is the InChIKey of the compound?

The InChIKey of the compound is KNPIHDSEMFBJJK-RITPCOANSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1CC2CNCC1C(=O)N2.

What is the isomeric SMILES of the compound?

The isomeric SMILES of the compound is C1C[C@H]2CNC[C@@H]1C(=O)N2.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is -0.6.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 2 hydrogen bond acceptor counts.