2-methylprop-2-enoate

C12H15O6-3 — CID 19005746

IUPAC2-methylprop-2-enoate
SMILESC=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=C(C)C(=O)[O-]
InChIInChI=1S/3C4H6O2/c3*1-3(2)4(5)6/h3*1H2,2H3,(H,5,6)/p-3
InChIKeyCUOYGVNOMILKIC-UHFFFAOYSA-K
MW255.25 g/mol
LogP-2.06
Rot. Bonds3

About 2-methylprop-2-enoate

2-methylprop-2-enoate (PubChem CID 19005746) has the molecular formula C12H15O6-3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoate
PubChem CID19005746
Molecular FormulaC12H15O6-3
Molecular Weight255.25 g/mol
Exact Mass255.09
IUPAC Name2-methylprop-2-enoate
SMILESC=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=C(C)C(=O)[O-]
InChIInChI=1S/3C4H6O2/c3*1-3(2)4(5)6/h3*1H2,2H3,(H,5,6)/p-3
InChIKeyCUOYGVNOMILKIC-UHFFFAOYSA-K
XLogP-2.06
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-2.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylprop-2-enoate);samarium
CID 175299700
gadolinium(3+);tris(2-methylprop-2-enoate)
CID 162156326
hexakis(2-methylprop-2-enoate);molybdenum
CID 173015670
sodium;ethene;2-methylprop-2-enoate
CID 23688925
calcium;2-methylprop-2-enoate;chloride
CID 174912380
chromium(3+);2-methylprop-2-enoate;chloride
CID 19738661
CID 159432817
CID 159432817
tris(cyclododecane);bis(2-methylprop-2-enoate)
CID 22328247
2-methylprop-2-enoate;trifluoromethane
CID 158491697
potassium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 23715908
sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 159840606
2-methylprop-2-enoate isocyanate
CID 86653408

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoate?
The IUPAC name of 2-methylprop-2-enoate (CID 19005746) is 2-methylprop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoate is C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].
What is the InChIKey of 2-methylprop-2-enoate?
The InChIKey is CUOYGVNOMILKIC-UHFFFAOYSA-K. The full InChI is InChI=1S/3C4H6O2/c3*1-3(2)4(5)6/h3*1H2,2H3,(H,5,6)/p-3.
What are the key properties of 2-methylprop-2-enoate?
2-methylprop-2-enoate has a molecular weight of 255.25 g/mol, XLogP of -2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoate is sourced from PubChem (CID 19005746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).