5-amino-1-azabicyclo[3.2.2]nonan-2-one

C8H14N2O — CID 84716571

IUPAC5-amino-1-azabicyclo[3.2.2]nonan-2-one
SMILESNC12CCC(=O)N(CC1)CC2
InChIInChI=1S/C8H14N2O/c9-8-2-1-7(11)10(5-3-8)6-4-8/h1-6,9H2
InChIKeyFYUAEKWHONUUOH-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.10
Rot. Bonds

About 5-amino-1-azabicyclo[3.2.2]nonan-2-one

5-amino-1-azabicyclo[3.2.2]nonan-2-one (PubChem CID 84716571) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-amino-1-azabicyclo[3.2.2]nonan-2-one.

Molecular Properties

Compound Name5-amino-1-azabicyclo[3.2.2]nonan-2-one
PubChem CID84716571
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-amino-1-azabicyclo[3.2.2]nonan-2-one
SMILESNC12CCC(=O)N(CC1)CC2
InChIInChI=1S/C8H14N2O/c9-8-2-1-7(11)10(5-3-8)6-4-8/h1-6,9H2
InChIKeyFYUAEKWHONUUOH-UHFFFAOYSA-N
XLogP0.10
TPSA46.33 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 ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-azabicyclo[3.2.2]nonan-2-one?
The IUPAC name of 5-amino-1-azabicyclo[3.2.2]nonan-2-one (CID 84716571) is 5-amino-1-azabicyclo[3.2.2]nonan-2-one.
What is the SMILES notation for 5-amino-1-azabicyclo[3.2.2]nonan-2-one?
The canonical SMILES for 5-amino-1-azabicyclo[3.2.2]nonan-2-one is NC12CCC(=O)N(CC1)CC2.
What is the InChIKey of 5-amino-1-azabicyclo[3.2.2]nonan-2-one?
The InChIKey is FYUAEKWHONUUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c9-8-2-1-7(11)10(5-3-8)6-4-8/h1-6,9H2.
What are the key properties of 5-amino-1-azabicyclo[3.2.2]nonan-2-one?
5-amino-1-azabicyclo[3.2.2]nonan-2-one has a molecular weight of 154.21 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-azabicyclo[3.2.2]nonan-2-one is sourced from PubChem (CID 84716571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).