2-methylprop-2-enoic acid;propanoic acid

C7H12O4 — CID 87268854

IUPAC2-methylprop-2-enoic acid;propanoic acid
SMILESC=C(C)C(=O)O.CCC(=O)O
InChIInChI=1S/C4H6O2.C3H6O2/c1-3(2)4(5)6;1-2-3(4)5/h1H2,2H3,(H,5,6);2H2,1H3,(H,4,5)
InChIKeyPNIGKGOETKVPSH-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.13
Rot. Bonds2

About 2-methylprop-2-enoic acid;propanoic acid

2-methylprop-2-enoic acid;propanoic acid (PubChem CID 87268854) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;propanoic acid.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;propanoic acid
PubChem CID87268854
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name2-methylprop-2-enoic acid;propanoic acid
SMILESC=C(C)C(=O)O.CCC(=O)O
InChIInChI=1S/C4H6O2.C3H6O2/c1-3(2)4(5)6;1-2-3(4)5/h1H2,2H3,(H,5,6);2H2,1H3,(H,4,5)
InChIKeyPNIGKGOETKVPSH-UHFFFAOYSA-N
XLogP1.13
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.13
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;propanoic acid?
The IUPAC name of 2-methylprop-2-enoic acid;propanoic acid (CID 87268854) is 2-methylprop-2-enoic acid;propanoic acid.
What is the SMILES notation for 2-methylprop-2-enoic acid;propanoic acid?
The canonical SMILES for 2-methylprop-2-enoic acid;propanoic acid is C=C(C)C(=O)O.CCC(=O)O.
What is the InChIKey of 2-methylprop-2-enoic acid;propanoic acid?
The InChIKey is PNIGKGOETKVPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H6O2/c1-3(2)4(5)6;1-2-3(4)5/h1H2,2H3,(H,5,6);2H2,1H3,(H,4,5).
What are the key properties of 2-methylprop-2-enoic acid;propanoic acid?
2-methylprop-2-enoic acid;propanoic acid has a molecular weight of 160.17 g/mol, XLogP of 1.13, 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;propanoic acid is sourced from PubChem (CID 87268854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).