copper;2-methylprop-2-enoic acid

C4H6CuO2 — CID 87172232

IUPACcopper;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.[Cu]
InChIInChI=1S/C4H6O2.Cu/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);
InChIKeyMUAXETKHGSOSCB-UHFFFAOYSA-N
MW149.64 g/mol
LogP0.64
Rot. Bonds1

About copper;2-methylprop-2-enoic acid

copper;2-methylprop-2-enoic acid (PubChem CID 87172232) has the molecular formula C4H6CuO2 and a molecular weight of 149.64 g/mol. Its IUPAC name is copper;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namecopper;2-methylprop-2-enoic acid
PubChem CID87172232
Molecular FormulaC4H6CuO2
Molecular Weight149.64 g/mol
Exact Mass148.97
IUPAC Namecopper;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.[Cu]
InChIInChI=1S/C4H6O2.Cu/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);
InChIKeyMUAXETKHGSOSCB-UHFFFAOYSA-N
XLogP0.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.64
LogP ≤ 50.64
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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Frequently Asked Questions

What is the IUPAC name of copper;2-methylprop-2-enoic acid?
The IUPAC name of copper;2-methylprop-2-enoic acid (CID 87172232) is copper;2-methylprop-2-enoic acid.
What is the SMILES notation for copper;2-methylprop-2-enoic acid?
The canonical SMILES for copper;2-methylprop-2-enoic acid is C=C(C)C(=O)O.[Cu].
What is the InChIKey of copper;2-methylprop-2-enoic acid?
The InChIKey is MUAXETKHGSOSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.Cu/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);.
What are the key properties of copper;2-methylprop-2-enoic acid?
copper;2-methylprop-2-enoic acid has a molecular weight of 149.64 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-methylprop-2-enoic acid is sourced from PubChem (CID 87172232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).