sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid

C10H15NaO4 — CID 159840606

IUPACsodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C.C=C(C)C(=O)O.C=C(C)C(=O)[O-].[Na+]
InChIInChI=1S/2C4H6O2.C2H4.Na/c2*1-3(2)4(5)6;1-2;/h2*1H2,2H3,(H,5,6);1-2H2;/q;;;+1/p-1
InChIKeyNOPYUIVKFFAIGE-UHFFFAOYSA-M
MW222.22 g/mol
LogP-2.23
Rot. Bonds2

About sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid

sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid (PubChem CID 159840606) has the molecular formula C10H15NaO4 and a molecular weight of 222.22 g/mol. Its IUPAC name is sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namesodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
PubChem CID159840606
Molecular FormulaC10H15NaO4
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Namesodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C.C=C(C)C(=O)O.C=C(C)C(=O)[O-].[Na+]
InChIInChI=1S/2C4H6O2.C2H4.Na/c2*1-3(2)4(5)6;1-2;/h2*1H2,2H3,(H,5,6);1-2H2;/q;;;+1/p-1
InChIKeyNOPYUIVKFFAIGE-UHFFFAOYSA-M
XLogP-2.23
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 5-2.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 23715908
sodium;ethene;2-methylprop-2-enoate
CID 23688925
potassium;sodium;hydride;2-methylprop-2-enoic acid
CID 175065852
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
2-methylprop-2-enoate
CID 19005746
gadolinium(3+);tris(2-methylprop-2-enoate)
CID 162156326
hexakis(2-methylprop-2-enoate);molybdenum
CID 173015670
bis(2-methylprop-2-enoate);samarium
CID 175299700
CID 159432817
CID 159432817
calcium;2-methylprop-2-enoate;chloride
CID 174912380
chromium(3+);2-methylprop-2-enoate;chloride
CID 19738661
methanolate;bis(2-methylprop-2-enoic acid);titanium(2+)
CID 18781400

Frequently Asked Questions

What is the IUPAC name of sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The IUPAC name of sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid (CID 159840606) is sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid.
What is the SMILES notation for sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The canonical SMILES for sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid is C=C.C=C(C)C(=O)O.C=C(C)C(=O)[O-].[Na+].
What is the InChIKey of sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The InChIKey is NOPYUIVKFFAIGE-UHFFFAOYSA-M. The full InChI is InChI=1S/2C4H6O2.C2H4.Na/c2*1-3(2)4(5)6;1-2;/h2*1H2,2H3,(H,5,6);1-2H2;/q;;;+1/p-1.
What are the key properties of sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid?
sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid has a molecular weight of 222.22 g/mol, XLogP of -2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 159840606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).