2-methylprop-2-enoic acid

C4H6O2 — CID 4093

IUPAC2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O
InChIInChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)
InChIKeyCERQOIWHTDAKMF-UHFFFAOYSA-N
MW86.09 g/mol
LogP0.65
Rot. Bonds1

About 2-methylprop-2-enoic acid

2-methylprop-2-enoic acid (PubChem CID 4093) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-methylprop-2-enoic acid
PubChem CID4093
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Name2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O
InChIInChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)
InChIKeyCERQOIWHTDAKMF-UHFFFAOYSA-N
XLogP0.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.65
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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Related Compounds

CID 125468
CID 125468
CID 643798
CID 643798
CID 638129
CID 638129
CID 643915
CID 643915
CID 19166
CID 19166
CID 6656
CID 6656
CID 113239
CID 113239
CID 87595
CID 87595
CID 874
CID 874
CID 173000318
CID 173000318
CID 155926059
CID 155926059
CID 102601284
CID 102601284

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid?
The IUPAC name of 2-methylprop-2-enoic acid (CID 4093) is 2-methylprop-2-enoic acid.
What is the SMILES notation for 2-methylprop-2-enoic acid?
The canonical SMILES for 2-methylprop-2-enoic acid is C=C(C)C(=O)O.
What is the InChIKey of 2-methylprop-2-enoic acid?
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 2-methylprop-2-enoic acid?
2-methylprop-2-enoic acid has a molecular weight of 86.09 g/mol, XLogP of 0.65, 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 is sourced from PubChem (CID 4093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).