6-methyl-2,6-diazabicyclo[3.2.2]nonan-3-one

C8H14N2O — CID 142494546

IUPAC6-methyl-2,6-diazabicyclo[3.2.2]nonan-3-one
SMILESCN1CC2CCC1CC(=O)N2
InChIInChI=1S/C8H14N2O/c1-10-5-6-2-3-7(10)4-8(11)9-6/h6-7H,2-5H2,1H3,(H,9,11)
InChIKeyRHGNHPTVHPXURR-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.03
Rot. Bonds

About 6-methyl-2,6-diazabicyclo[3.2.2]nonan-3-one

6-methyl-2,6-diazabicyclo[3.2.2]nonan-3-one (PubChem CID 142494546) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-methyl-2,6-diazabicyclo[3.2.2]nonan-3-one.

Molecular Properties

Compound Name6-methyl-2,6-diazabicyclo[3.2.2]nonan-3-one
PubChem CID142494546
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name6-methyl-2,6-diazabicyclo[3.2.2]nonan-3-one
SMILESCN1CC2CCC1CC(=O)N2
InChIInChI=1S/C8H14N2O/c1-10-5-6-2-3-7(10)4-8(11)9-6/h6-7H,2-5H2,1H3,(H,9,11)
InChIKeyRHGNHPTVHPXURR-UHFFFAOYSA-N
XLogP-0.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,6-diazabicyclo[3.2.2]nonan-3-one?
The IUPAC name of 6-methyl-2,6-diazabicyclo[3.2.2]nonan-3-one (CID 142494546) is 6-methyl-2,6-diazabicyclo[3.2.2]nonan-3-one.
What is the SMILES notation for 6-methyl-2,6-diazabicyclo[3.2.2]nonan-3-one?
The canonical SMILES for 6-methyl-2,6-diazabicyclo[3.2.2]nonan-3-one is CN1CC2CCC1CC(=O)N2.
What is the InChIKey of 6-methyl-2,6-diazabicyclo[3.2.2]nonan-3-one?
The InChIKey is RHGNHPTVHPXURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-10-5-6-2-3-7(10)4-8(11)9-6/h6-7H,2-5H2,1H3,(H,9,11).
What are the key properties of 6-methyl-2,6-diazabicyclo[3.2.2]nonan-3-one?
6-methyl-2,6-diazabicyclo[3.2.2]nonan-3-one has a molecular weight of 154.21 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,6-diazabicyclo[3.2.2]nonan-3-one is sourced from PubChem (CID 142494546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).