ethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate

C10H10O5 — CID 44570632

IUPACethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(=O)c(O)co1
InChIInChI=1S/C10H10O5/c1-2-14-10(13)4-3-7-5-8(11)9(12)6-15-7/h3-6,12H,2H2,1H3/b4-3+
InChIKeyVZBKDVHDPQUMLH-ONEGZZNKSA-N
MW210.18 g/mol
LogP0.92
Rot. Bonds3

About ethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate

ethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate (PubChem CID 44570632) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is ethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate
PubChem CID44570632
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Nameethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(=O)c(O)co1
InChIInChI=1S/C10H10O5/c1-2-14-10(13)4-3-7-5-8(11)9(12)6-15-7/h3-6,12H,2H2,1H3/b4-3+
InChIKeyVZBKDVHDPQUMLH-ONEGZZNKSA-N
XLogP0.92
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)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 ethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate (CID 44570632) is ethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate is CCOC(=O)/C=C/c1cc(=O)c(O)co1.
What is the InChIKey of ethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate?
The InChIKey is VZBKDVHDPQUMLH-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10O5/c1-2-14-10(13)4-3-7-5-8(11)9(12)6-15-7/h3-6,12H,2H2,1H3/b4-3+.
What are the key properties of ethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate?
ethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate has a molecular weight of 210.18 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(5-hydroxy-4-oxopyran-2-yl)prop-2-enoate is sourced from PubChem (CID 44570632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).