potassium;buta-2,3-dienoic acid;hydride

C4H5KO2 — CID 176540162

IUPACpotassium;buta-2,3-dienoic acid;hydride
SMILESC=C=CC(=O)O.[H-].[K+]
InChIInChI=1S/C4H4O2.K.H/c1-2-3-4(5)6;;/h3H,1H2,(H,5,6);;/q;+1;-1
InChIKeyNIRZSLKMKOGNMB-UHFFFAOYSA-N
MW124.18 g/mol
LogP-2.47
Rot. Bonds1

About potassium;buta-2,3-dienoic acid;hydride

potassium;buta-2,3-dienoic acid;hydride (PubChem CID 176540162) has the molecular formula C4H5KO2 and a molecular weight of 124.18 g/mol. Its IUPAC name is potassium;buta-2,3-dienoic acid;hydride.

Molecular Properties

Compound Namepotassium;buta-2,3-dienoic acid;hydride
PubChem CID176540162
Molecular FormulaC4H5KO2
Molecular Weight124.18 g/mol
Exact Mass123.99
IUPAC Namepotassium;buta-2,3-dienoic acid;hydride
SMILESC=C=CC(=O)O.[H-].[K+]
InChIInChI=1S/C4H4O2.K.H/c1-2-3-4(5)6;;/h3H,1H2,(H,5,6);;/q;+1;-1
InChIKeyNIRZSLKMKOGNMB-UHFFFAOYSA-N
XLogP-2.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 5-2.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

buta-2,3-dienoic acid;ethene;prop-2-enoic acid
CID 88755428
hexa-2,3,4,5-tetraenoic acid
CID 137332363
buta-2,3-dienoyl(carboxy)carbamic acid
CID 176532489
propa-1,2-diene;prop-2-enoic acid
CID 87528700
N-methylsulfanylbuta-2,3-dienamide
CID 176523508
silyl buta-2,3-dienoate
CID 174913933
1,1,1-trichloropenta-3,4-dien-2-one
CID 10607579
potassium;carbonic acid;formaldehyde;hydride
CID 173413158
potassium;prop-2-enoic acid;hydroxide
CID 23712932
N-prop-2-enoylbuta-2,3-dienamide
CID 87127669
carbon dioxide;prop-2-enoic acid
CID 91485631
1-(2-chlorophenyl)buta-2,3-dien-1-one
CID 10583489

Frequently Asked Questions

What is the IUPAC name of potassium;buta-2,3-dienoic acid;hydride?
The IUPAC name of potassium;buta-2,3-dienoic acid;hydride (CID 176540162) is potassium;buta-2,3-dienoic acid;hydride.
What is the SMILES notation for potassium;buta-2,3-dienoic acid;hydride?
The canonical SMILES for potassium;buta-2,3-dienoic acid;hydride is C=C=CC(=O)O.[H-].[K+].
What is the InChIKey of potassium;buta-2,3-dienoic acid;hydride?
The InChIKey is NIRZSLKMKOGNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O2.K.H/c1-2-3-4(5)6;;/h3H,1H2,(H,5,6);;/q;+1;-1.
What are the key properties of potassium;buta-2,3-dienoic acid;hydride?
potassium;buta-2,3-dienoic acid;hydride has a molecular weight of 124.18 g/mol, XLogP of -2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;buta-2,3-dienoic acid;hydride is sourced from PubChem (CID 176540162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).