1-azabicyclo[2.2.2]octan-3-one;hydron

C7H12NO+ — CID 131859903

IUPAC1-azabicyclo[2.2.2]octan-3-one;hydron
SMILESO=C1CN2CCC1CC2.[H+]
InChIInChI=1S/C7H11NO/c9-7-5-8-3-1-6(7)2-4-8/h6H,1-5H2/p+1
InChIKeyZKMZPXWMMSBLNO-UHFFFAOYSA-O
MW126.18 g/mol
LogP0.39
Rot. Bonds

About 1-azabicyclo[2.2.2]octan-3-one;hydron

1-azabicyclo[2.2.2]octan-3-one;hydron (PubChem CID 131859903) has the molecular formula C7H12NO+ and a molecular weight of 126.18 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-one;hydron.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-3-one;hydron
PubChem CID131859903
Molecular FormulaC7H12NO+
Molecular Weight126.18 g/mol
Exact Mass126.09
IUPAC Name1-azabicyclo[2.2.2]octan-3-one;hydron
SMILESO=C1CN2CCC1CC2.[H+]
InChIInChI=1S/C7H11NO/c9-7-5-8-3-1-6(7)2-4-8/h6H,1-5H2/p+1
InChIKeyZKMZPXWMMSBLNO-UHFFFAOYSA-O
XLogP0.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-3-one;hydron?
The IUPAC name of 1-azabicyclo[2.2.2]octan-3-one;hydron (CID 131859903) is 1-azabicyclo[2.2.2]octan-3-one;hydron.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-3-one;hydron?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-3-one;hydron is O=C1CN2CCC1CC2.[H+].
What is the InChIKey of 1-azabicyclo[2.2.2]octan-3-one;hydron?
The InChIKey is ZKMZPXWMMSBLNO-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11NO/c9-7-5-8-3-1-6(7)2-4-8/h6H,1-5H2/p+1.
What are the key properties of 1-azabicyclo[2.2.2]octan-3-one;hydron?
1-azabicyclo[2.2.2]octan-3-one;hydron has a molecular weight of 126.18 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-3-one;hydron is sourced from PubChem (CID 131859903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).