potassium 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate

C7H8KNO2 — CID 43810608

IUPACpotassium 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESO=C([O-])N1CC2C=CC1C2.[K+]
InChIInChI=1S/C7H9NO2.K/c9-7(10)8-4-5-1-2-6(8)3-5;/h1-2,5-6H,3-4H2,(H,9,10);/q;+1/p-1
InChIKeyXQEUZBWCCLLPBG-UHFFFAOYSA-M
MW177.24 g/mol
LogP-3.41
Rot. Bonds

About potassium 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate

potassium 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 43810608) has the molecular formula C7H8KNO2 and a molecular weight of 177.24 g/mol. Its IUPAC name is potassium 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Namepotassium 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID43810608
Molecular FormulaC7H8KNO2
Molecular Weight177.24 g/mol
Exact Mass177.02
IUPAC Namepotassium 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESO=C([O-])N1CC2C=CC1C2.[K+]
InChIInChI=1S/C7H9NO2.K/c9-7(10)8-4-5-1-2-6(8)3-5;/h1-2,5-6H,3-4H2,(H,9,10);/q;+1/p-1
InChIKeyXQEUZBWCCLLPBG-UHFFFAOYSA-M
XLogP-3.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-3.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-Butyl 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15837921
(1S,4R)-tert-butyl 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10845526
Ethyl 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 13050059
2,3,3a,4,5,7a-Hexahydroindole-1-carboxylic acid
CID 22675190
(1R,4S)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 25312617
(1S,4R)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 25312622
2-Azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 43810609
tert-butyl (1R,4S)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 53486353
tert-butyl (1S,4S)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 54537431
CID 57875311
CID 57875311
tert-butyl (1R)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 67130633
tert-butyl (1S)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 67130859

Frequently Asked Questions

What is the IUPAC name of potassium 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of potassium 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 43810608) is potassium 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for potassium 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for potassium 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate is O=C([O-])N1CC2C=CC1C2.[K+].
What is the InChIKey of potassium 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is XQEUZBWCCLLPBG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9NO2.K/c9-7(10)8-4-5-1-2-6(8)3-5;/h1-2,5-6H,3-4H2,(H,9,10);/q;+1/p-1.
What are the key properties of potassium 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate?
potassium 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 177.24 g/mol, XLogP of -3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 43810608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).