2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate

C11H16O5 — CID 174631406

IUPAC2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate
SMILESC=C(C)C(=O)O.C=CC(=O)OC(C)C1CO1
InChIInChI=1S/C7H10O3.C4H6O2/c1-3-7(8)10-5(2)6-4-9-6;1-3(2)4(5)6/h3,5-6H,1,4H2,2H3;1H2,2H3,(H,5,6)
InChIKeyMZRLJWIRTYABFI-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.15
Rot. Bonds4

About 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate

2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate (PubChem CID 174631406) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate
PubChem CID174631406
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate
SMILESC=C(C)C(=O)O.C=CC(=O)OC(C)C1CO1
InChIInChI=1S/C7H10O3.C4H6O2/c1-3-7(8)10-5(2)6-4-9-6;1-3(2)4(5)6/h3,5-6H,1,4H2,2H3;1H2,2H3,(H,5,6)
InChIKeyMZRLJWIRTYABFI-UHFFFAOYSA-N
XLogP1.15
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate?
The IUPAC name of 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate (CID 174631406) is 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate is C=C(C)C(=O)O.C=CC(=O)OC(C)C1CO1.
What is the InChIKey of 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate?
The InChIKey is MZRLJWIRTYABFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C4H6O2/c1-3-7(8)10-5(2)6-4-9-6;1-3(2)4(5)6/h3,5-6H,1,4H2,2H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate?
2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate has a molecular weight of 228.24 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate is sourced from PubChem (CID 174631406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).