hydron;2-methylprop-2-enoate

C4H6O2 — CID 173000318

IUPAChydron;2-methylprop-2-enoate
SMILESC=C(C)C(=O)[O-].[H+]
InChIInChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)
InChIKeyCERQOIWHTDAKMF-UHFFFAOYSA-N
MW86.09 g/mol
LogP-0.58
Rot. Bonds1

About hydron;2-methylprop-2-enoate

hydron;2-methylprop-2-enoate (PubChem CID 173000318) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol. Its IUPAC name is hydron;2-methylprop-2-enoate.

Molecular Properties

Compound Namehydron;2-methylprop-2-enoate
PubChem CID173000318
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Namehydron;2-methylprop-2-enoate
SMILESC=C(C)C(=O)[O-].[H+]
InChIInChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)
InChIKeyCERQOIWHTDAKMF-UHFFFAOYSA-N
XLogP-0.58
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 hydron;2-methylprop-2-enoate?
The IUPAC name of hydron;2-methylprop-2-enoate (CID 173000318) is hydron;2-methylprop-2-enoate.
What is the SMILES notation for hydron;2-methylprop-2-enoate?
The canonical SMILES for hydron;2-methylprop-2-enoate is C=C(C)C(=O)[O-].[H+].
What is the InChIKey of hydron;2-methylprop-2-enoate?
The InChIKey is CERQOIWHTDAKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6).
What are the key properties of hydron;2-methylprop-2-enoate?
hydron;2-methylprop-2-enoate has a molecular weight of 86.09 g/mol, XLogP of -0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-methylprop-2-enoate is sourced from PubChem (CID 173000318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).