bicyclo[2.2.2]octane-2-carboxamide

C9H15NO — CID 2802946

IUPACbicyclo[2.2.2]octane-2-carboxamide
SMILESNC(=O)C1CC2CCC1CC2
InChIInChI=1S/C9H15NO/c10-9(11)8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2,(H2,10,11)
InChIKeyGETXPMNCPVBRQO-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.30
Rot. Bonds1

About bicyclo[2.2.2]octane-2-carboxamide

bicyclo[2.2.2]octane-2-carboxamide (PubChem CID 2802946) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is bicyclo[2.2.2]octane-2-carboxamide.

Molecular Properties

Compound Namebicyclo[2.2.2]octane-2-carboxamide
PubChem CID2802946
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Namebicyclo[2.2.2]octane-2-carboxamide
SMILESNC(=O)C1CC2CCC1CC2
InChIInChI=1S/C9H15NO/c10-9(11)8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2,(H2,10,11)
InChIKeyGETXPMNCPVBRQO-UHFFFAOYSA-N
XLogP1.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.2]octane-2-carboxamide?
The IUPAC name of bicyclo[2.2.2]octane-2-carboxamide (CID 2802946) is bicyclo[2.2.2]octane-2-carboxamide.
What is the SMILES notation for bicyclo[2.2.2]octane-2-carboxamide?
The canonical SMILES for bicyclo[2.2.2]octane-2-carboxamide is NC(=O)C1CC2CCC1CC2.
What is the InChIKey of bicyclo[2.2.2]octane-2-carboxamide?
The InChIKey is GETXPMNCPVBRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c10-9(11)8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2,(H2,10,11).
What are the key properties of bicyclo[2.2.2]octane-2-carboxamide?
bicyclo[2.2.2]octane-2-carboxamide has a molecular weight of 153.22 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.2]octane-2-carboxamide is sourced from PubChem (CID 2802946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).