2-methylprop-2-enoic acid;prop-2-enoic acid

C7H10O4 — CID 11600707

IUPAC2-methylprop-2-enoic acid;prop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)O
InChIInChI=1S/C4H6O2.C3H4O2/c1-3(2)4(5)6;1-2-3(4)5/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5)
InChIKeyMUZDXNQOSGWMJJ-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.90
Rot. Bonds2

About 2-methylprop-2-enoic acid;prop-2-enoic acid

2-methylprop-2-enoic acid;prop-2-enoic acid (PubChem CID 11600707) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;prop-2-enoic acid.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;prop-2-enoic acid
PubChem CID11600707
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2-methylprop-2-enoic acid;prop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)O
InChIInChI=1S/C4H6O2.C3H4O2/c1-3(2)4(5)6;1-2-3(4)5/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5)
InChIKeyMUZDXNQOSGWMJJ-UHFFFAOYSA-N
XLogP0.90
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.90
H-Bond Donors ≤ 52
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 2-methylprop-2-enoic acid;prop-2-enoic acid?
The IUPAC name of 2-methylprop-2-enoic acid;prop-2-enoic acid (CID 11600707) is 2-methylprop-2-enoic acid;prop-2-enoic acid.
What is the SMILES notation for 2-methylprop-2-enoic acid;prop-2-enoic acid?
The canonical SMILES for 2-methylprop-2-enoic acid;prop-2-enoic acid is C=C(C)C(=O)O.C=CC(=O)O.
What is the InChIKey of 2-methylprop-2-enoic acid;prop-2-enoic acid?
The InChIKey is MUZDXNQOSGWMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H4O2/c1-3(2)4(5)6;1-2-3(4)5/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5).
What are the key properties of 2-methylprop-2-enoic acid;prop-2-enoic acid?
2-methylprop-2-enoic acid;prop-2-enoic acid has a molecular weight of 158.15 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;prop-2-enoic acid is sourced from PubChem (CID 11600707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).