potassium 1-(4,5-dihydro-1H-imidazol-2-yl)ethanolate

C5H9KN2O — CID 156743316

IUPACpotassium 1-(4,5-dihydro-1H-imidazol-2-yl)ethanolate
SMILESCC([O-])C1=NCCN1.[K+]
InChIInChI=1S/C5H9N2O.K/c1-4(8)5-6-2-3-7-5;/h4H,2-3H2,1H3,(H,6,7);/q-1;+1
InChIKeyIBMUXOVNZPWQKI-UHFFFAOYSA-N
MW152.24 g/mol
LogP-4.26
Rot. Bonds1

About potassium 1-(4,5-dihydro-1H-imidazol-2-yl)ethanolate

potassium 1-(4,5-dihydro-1H-imidazol-2-yl)ethanolate (PubChem CID 156743316) has the molecular formula C5H9KN2O and a molecular weight of 152.24 g/mol. Its IUPAC name is potassium 1-(4,5-dihydro-1H-imidazol-2-yl)ethanolate.

Molecular Properties

Compound Namepotassium 1-(4,5-dihydro-1H-imidazol-2-yl)ethanolate
PubChem CID156743316
Molecular FormulaC5H9KN2O
Molecular Weight152.24 g/mol
Exact Mass152.04
IUPAC Namepotassium 1-(4,5-dihydro-1H-imidazol-2-yl)ethanolate
SMILESCC([O-])C1=NCCN1.[K+]
InChIInChI=1S/C5H9N2O.K/c1-4(8)5-6-2-3-7-5;/h4H,2-3H2,1H3,(H,6,7);/q-1;+1
InChIKeyIBMUXOVNZPWQKI-UHFFFAOYSA-N
XLogP-4.26
TPSA47.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 5-4.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 1-(4,5-dihydro-1H-imidazol-2-yl)ethanolate?
The IUPAC name of potassium 1-(4,5-dihydro-1H-imidazol-2-yl)ethanolate (CID 156743316) is potassium 1-(4,5-dihydro-1H-imidazol-2-yl)ethanolate.
What is the SMILES notation for potassium 1-(4,5-dihydro-1H-imidazol-2-yl)ethanolate?
The canonical SMILES for potassium 1-(4,5-dihydro-1H-imidazol-2-yl)ethanolate is CC([O-])C1=NCCN1.[K+].
What is the InChIKey of potassium 1-(4,5-dihydro-1H-imidazol-2-yl)ethanolate?
The InChIKey is IBMUXOVNZPWQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N2O.K/c1-4(8)5-6-2-3-7-5;/h4H,2-3H2,1H3,(H,6,7);/q-1;+1.
What are the key properties of potassium 1-(4,5-dihydro-1H-imidazol-2-yl)ethanolate?
potassium 1-(4,5-dihydro-1H-imidazol-2-yl)ethanolate has a molecular weight of 152.24 g/mol, XLogP of -4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-(4,5-dihydro-1H-imidazol-2-yl)ethanolate is sourced from PubChem (CID 156743316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).