2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid

C10H16O5 — CID 174363133

IUPAC2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)O.CC(C)=O
InChIInChI=1S/C4H6O2.C3H4O2.C3H6O/c1-3(2)4(5)6;1-2-3(4)5;1-3(2)4/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5);1-2H3
InChIKeyKBNICRLLMLWSRG-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.50
Rot. Bonds2

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

2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid (PubChem CID 174363133) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid
PubChem CID174363133
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)O.CC(C)=O
InChIInChI=1S/C4H6O2.C3H4O2.C3H6O/c1-3(2)4(5)6;1-2-3(4)5;1-3(2)4/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5);1-2H3
InChIKeyKBNICRLLMLWSRG-UHFFFAOYSA-N
XLogP1.50
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;propan-2-one;prop-2-enoic acid?
The IUPAC name of 2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid (CID 174363133) is 2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid.
What is the SMILES notation for 2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid?
The canonical SMILES for 2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid is C=C(C)C(=O)O.C=CC(=O)O.CC(C)=O.
What is the InChIKey of 2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid?
The InChIKey is KBNICRLLMLWSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H4O2.C3H6O/c1-3(2)4(5)6;1-2-3(4)5;1-3(2)4/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5);1-2H3.
What are the key properties of 2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid?
2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid has a molecular weight of 216.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid is sourced from PubChem (CID 174363133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).