2-azabicyclo[2.2.2]octane-3-carboxamide

C8H14N2O — CID 19876032

IUPAC2-azabicyclo[2.2.2]octane-3-carboxamide
SMILESNC(=O)C1NC2CCC1CC2
InChIInChI=1S/C8H14N2O/c9-8(11)7-5-1-3-6(10-7)4-2-5/h5-7,10H,1-4H2,(H2,9,11)
InChIKeyWHOKFRBBPDWWBC-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.00
Rot. Bonds1

About 2-azabicyclo[2.2.2]octane-3-carboxamide

2-azabicyclo[2.2.2]octane-3-carboxamide (PubChem CID 19876032) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-azabicyclo[2.2.2]octane-3-carboxamide.

Molecular Properties

Compound Name2-azabicyclo[2.2.2]octane-3-carboxamide
PubChem CID19876032
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-azabicyclo[2.2.2]octane-3-carboxamide
SMILESNC(=O)C1NC2CCC1CC2
InChIInChI=1S/C8H14N2O/c9-8(11)7-5-1-3-6(10-7)4-2-5/h5-7,10H,1-4H2,(H2,9,11)
InChIKeyWHOKFRBBPDWWBC-UHFFFAOYSA-N
XLogP0.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3R,4R)-2-azabicyclo[2.2.1]heptane-3-carbonyl chloride
CID 57358634
(2R,5R)-pyrrolidine-2,5-dicarboxamide
CID 93496955
bicyclo[3.2.0]heptane-3-carboxamide
CID 53431016
(1S,2S,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 98112397
(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-3-carboxamide;hydrochloride
CID 141284122
(2S,4R)-azetidine-2,4-dicarboxamide
CID 14654422
(2S)-5-cyclopropylazepane-2-carboxamide
CID 163441383
(2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide
CID 141395914
bicyclo[3.1.0]hexane-2-carboxamide
CID 123217840
(2S,3R)-azetidine-2,3-dicarboxamide
CID 54049662
(2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid
CID 112757650
(3S)-N-(6-bromo-3-methyl-2-pyridinyl)-2-azabicyclo[2.2.2]octane-3-carboxamide
CID 135318621

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.2]octane-3-carboxamide?
The IUPAC name of 2-azabicyclo[2.2.2]octane-3-carboxamide (CID 19876032) is 2-azabicyclo[2.2.2]octane-3-carboxamide.
What is the SMILES notation for 2-azabicyclo[2.2.2]octane-3-carboxamide?
The canonical SMILES for 2-azabicyclo[2.2.2]octane-3-carboxamide is NC(=O)C1NC2CCC1CC2.
What is the InChIKey of 2-azabicyclo[2.2.2]octane-3-carboxamide?
The InChIKey is WHOKFRBBPDWWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c9-8(11)7-5-1-3-6(10-7)4-2-5/h5-7,10H,1-4H2,(H2,9,11).
What are the key properties of 2-azabicyclo[2.2.2]octane-3-carboxamide?
2-azabicyclo[2.2.2]octane-3-carboxamide has a molecular weight of 154.21 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.2]octane-3-carboxamide is sourced from PubChem (CID 19876032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).