2-oxabicyclo[2.2.2]octane-4-carboxamide

C8H13NO2 — CID 175894792

IUPAC2-oxabicyclo[2.2.2]octane-4-carboxamide
SMILESNC(=O)C12CCC(CC1)OC2
InChIInChI=1S/C8H13NO2/c9-7(10)8-3-1-6(2-4-8)11-5-8/h6H,1-5H2,(H2,9,10)
InChIKeyBRQICCZKETVYGW-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.43
Rot. Bonds1

About 2-oxabicyclo[2.2.2]octane-4-carboxamide

2-oxabicyclo[2.2.2]octane-4-carboxamide (PubChem CID 175894792) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-oxabicyclo[2.2.2]octane-4-carboxamide.

Molecular Properties

Compound Name2-oxabicyclo[2.2.2]octane-4-carboxamide
PubChem CID175894792
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-oxabicyclo[2.2.2]octane-4-carboxamide
SMILESNC(=O)C12CCC(CC1)OC2
InChIInChI=1S/C8H13NO2/c9-7(10)8-3-1-6(2-4-8)11-5-8/h6H,1-5H2,(H2,9,10)
InChIKeyBRQICCZKETVYGW-UHFFFAOYSA-N
XLogP0.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-oxabicyclo[2.2.2]octane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[2.2.2]octane-4-carboxamide?
The IUPAC name of 2-oxabicyclo[2.2.2]octane-4-carboxamide (CID 175894792) is 2-oxabicyclo[2.2.2]octane-4-carboxamide.
What is the SMILES notation for 2-oxabicyclo[2.2.2]octane-4-carboxamide?
The canonical SMILES for 2-oxabicyclo[2.2.2]octane-4-carboxamide is NC(=O)C12CCC(CC1)OC2.
What is the InChIKey of 2-oxabicyclo[2.2.2]octane-4-carboxamide?
The InChIKey is BRQICCZKETVYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c9-7(10)8-3-1-6(2-4-8)11-5-8/h6H,1-5H2,(H2,9,10).
What are the key properties of 2-oxabicyclo[2.2.2]octane-4-carboxamide?
2-oxabicyclo[2.2.2]octane-4-carboxamide has a molecular weight of 155.20 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[2.2.2]octane-4-carboxamide is sourced from PubChem (CID 175894792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).