but-2-enoate;mercury(1+)

C4H5HgO2 — CID 173230436

IUPACbut-2-enoate;mercury(1+)
SMILESCC=CC(=O)[O-].[Hg+]
InChIInChI=1S/C4H6O2.Hg/c1-2-3-4(5)6;/h2-3H,1H3,(H,5,6);/q;+1/p-1
InChIKeyITZOGUWEWZOWMV-UHFFFAOYSA-M
MW285.67 g/mol
LogP-0.69
Rot. Bonds1

About but-2-enoate;mercury(1+)

but-2-enoate;mercury(1+) (PubChem CID 173230436) has the molecular formula C4H5HgO2 and a molecular weight of 285.67 g/mol. Its IUPAC name is but-2-enoate;mercury(1+).

Molecular Properties

Compound Namebut-2-enoate;mercury(1+)
PubChem CID173230436
Molecular FormulaC4H5HgO2
Molecular Weight285.67 g/mol
Exact Mass287.00
IUPAC Namebut-2-enoate;mercury(1+)
SMILESCC=CC(=O)[O-].[Hg+]
InChIInChI=1S/C4H6O2.Hg/c1-2-3-4(5)6;/h2-3H,1H3,(H,5,6);/q;+1/p-1
InChIKeyITZOGUWEWZOWMV-UHFFFAOYSA-M
XLogP-0.69
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.67
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium but-2-enoate
CID 141266834
copper bis(but-2-enoate)
CID 159139250
(E)-but-2-enedioate
CID 5460307
cadmium(2+);bis(hexa-2,4-dienoate)
CID 159713747
dicalcium;tetrakis((2E,4E)-hexa-2,4-dienoate)
CID 157350399
trisodium;tris((2E,4E)-hexa-2,4-dienoate)
CID 175798878
copper bis((2E,4E)-hexa-2,4-dienoate)
CID 6436412
calcium;ethanol;bis((2E,4E)-hexa-2,4-dienoate)
CID 157318732
potassium;disodium;tris(hexa-2,4-dienoate)
CID 160514983
diazanium;(E)-but-2-enedioate;ethanol
CID 172813479
triazanium;(E)-but-2-enedioate;ethanolate
CID 141132724
beryllium (Z)-but-2-enedioate
CID 140577680

Frequently Asked Questions

What is the IUPAC name of but-2-enoate;mercury(1+)?
The IUPAC name of but-2-enoate;mercury(1+) (CID 173230436) is but-2-enoate;mercury(1+).
What is the SMILES notation for but-2-enoate;mercury(1+)?
The canonical SMILES for but-2-enoate;mercury(1+) is CC=CC(=O)[O-].[Hg+].
What is the InChIKey of but-2-enoate;mercury(1+)?
The InChIKey is ITZOGUWEWZOWMV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O2.Hg/c1-2-3-4(5)6;/h2-3H,1H3,(H,5,6);/q;+1/p-1.
What are the key properties of but-2-enoate;mercury(1+)?
but-2-enoate;mercury(1+) has a molecular weight of 285.67 g/mol, XLogP of -0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enoate;mercury(1+) is sourced from PubChem (CID 173230436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).