potassium (E)-1-hydroxyprop-1-en-2-olate

C3H5KO2 — CID 141256818

IUPACpotassium (E)-1-hydroxyprop-1-en-2-olate
SMILESC/C([O-])=C\O.[K+]
InChIInChI=1S/C3H6O2.K/c1-3(5)2-4;/h2,4-5H,1H3;/q;+1/p-1/b3-2+;
InChIKeyGNLGOYHPIYCPKJ-SQQVDAMQSA-M
MW112.17 g/mol
LogP-3.23
Rot. Bonds

About potassium (E)-1-hydroxyprop-1-en-2-olate

potassium (E)-1-hydroxyprop-1-en-2-olate (PubChem CID 141256818) has the molecular formula C3H5KO2 and a molecular weight of 112.17 g/mol. Its IUPAC name is potassium (E)-1-hydroxyprop-1-en-2-olate.

Molecular Properties

Compound Namepotassium (E)-1-hydroxyprop-1-en-2-olate
PubChem CID141256818
Molecular FormulaC3H5KO2
Molecular Weight112.17 g/mol
Exact Mass111.99
IUPAC Namepotassium (E)-1-hydroxyprop-1-en-2-olate
SMILESC/C([O-])=C\O.[K+]
InChIInChI=1S/C3H6O2.K/c1-3(5)2-4;/h2,4-5H,1H3;/q;+1/p-1/b3-2+;
InChIKeyGNLGOYHPIYCPKJ-SQQVDAMQSA-M
XLogP-3.23
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 5-3.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

trisodium;formic acid;oxalate;acetate
CID 163992541
cerium;2-methylprop-1-en-1-ol
CID 175572583
sodium (Z)-1-nitroprop-1-en-2-olate
CID 84818696
2-bromoprop-1-en-1-ol
CID 71347780
potassium;prop-1-en-2-olate;hydrofluoride
CID 154632786
potassium;sodium;diacetate
CID 21470705
potassium;methanol;acetate
CID 87290228
prop-1-ene-1,2-diol;hydrate
CID 175907198
acetaldehyde;2-oxo(1,2-13C2)propanoate
CID 167580573
2-methylbut-2-enoate
CID 20982153
cesium 2-oxopropanoate
CID 23676701
dipotassium;acetic acid;diacetate
CID 158588749

Frequently Asked Questions

What is the IUPAC name of potassium (E)-1-hydroxyprop-1-en-2-olate?
The IUPAC name of potassium (E)-1-hydroxyprop-1-en-2-olate (CID 141256818) is potassium (E)-1-hydroxyprop-1-en-2-olate.
What is the SMILES notation for potassium (E)-1-hydroxyprop-1-en-2-olate?
The canonical SMILES for potassium (E)-1-hydroxyprop-1-en-2-olate is C/C([O-])=C\O.[K+].
What is the InChIKey of potassium (E)-1-hydroxyprop-1-en-2-olate?
The InChIKey is GNLGOYHPIYCPKJ-SQQVDAMQSA-M. The full InChI is InChI=1S/C3H6O2.K/c1-3(5)2-4;/h2,4-5H,1H3;/q;+1/p-1/b3-2+;.
What are the key properties of potassium (E)-1-hydroxyprop-1-en-2-olate?
potassium (E)-1-hydroxyprop-1-en-2-olate has a molecular weight of 112.17 g/mol, XLogP of -3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (E)-1-hydroxyprop-1-en-2-olate is sourced from PubChem (CID 141256818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).