2-methylprop-2-enoic acid;nickel

C4H6NiO2 — CID 87136056

IUPAC2-methylprop-2-enoic acid;nickel
SMILESC=C(C)C(=O)O.[Ni]
InChIInChI=1S/C4H6O2.Ni/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);
InChIKeyOTCFASUUDNWRJA-UHFFFAOYSA-N
MW144.78 g/mol
LogP0.64
Rot. Bonds1

About 2-methylprop-2-enoic acid;nickel

2-methylprop-2-enoic acid;nickel (PubChem CID 87136056) has the molecular formula C4H6NiO2 and a molecular weight of 144.78 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;nickel.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;nickel
PubChem CID87136056
Molecular FormulaC4H6NiO2
Molecular Weight144.78 g/mol
Exact Mass143.97
IUPAC Name2-methylprop-2-enoic acid;nickel
SMILESC=C(C)C(=O)O.[Ni]
InChIInChI=1S/C4H6O2.Ni/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);
InChIKeyOTCFASUUDNWRJA-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 ≤ 500144.78
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 2-methylprop-2-enoic acid;nickel?
The IUPAC name of 2-methylprop-2-enoic acid;nickel (CID 87136056) is 2-methylprop-2-enoic acid;nickel.
What is the SMILES notation for 2-methylprop-2-enoic acid;nickel?
The canonical SMILES for 2-methylprop-2-enoic acid;nickel is C=C(C)C(=O)O.[Ni].
What is the InChIKey of 2-methylprop-2-enoic acid;nickel?
The InChIKey is OTCFASUUDNWRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.Ni/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);.
What are the key properties of 2-methylprop-2-enoic acid;nickel?
2-methylprop-2-enoic acid;nickel has a molecular weight of 144.78 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 2-methylprop-2-enoic acid;nickel is sourced from PubChem (CID 87136056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).