ethyl 2-(5-formylfuran-2-yl)prop-2-enoate

C10H10O4 — CID 141152716

IUPACethyl 2-(5-formylfuran-2-yl)prop-2-enoate
SMILESC=C(C(=O)OCC)c1ccc(C=O)o1
InChIInChI=1S/C10H10O4/c1-3-13-10(12)7(2)9-5-4-8(6-11)14-9/h4-6H,2-3H2,1H3
InChIKeyRHIUISOFPYGYRH-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.67
Rot. Bonds4

About ethyl 2-(5-formylfuran-2-yl)prop-2-enoate

ethyl 2-(5-formylfuran-2-yl)prop-2-enoate (PubChem CID 141152716) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is ethyl 2-(5-formylfuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(5-formylfuran-2-yl)prop-2-enoate
PubChem CID141152716
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Nameethyl 2-(5-formylfuran-2-yl)prop-2-enoate
SMILESC=C(C(=O)OCC)c1ccc(C=O)o1
InChIInChI=1S/C10H10O4/c1-3-13-10(12)7(2)9-5-4-8(6-11)14-9/h4-6H,2-3H2,1H3
InChIKeyRHIUISOFPYGYRH-UHFFFAOYSA-N
XLogP1.67
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-formylfuran-2-yl)prop-2-enoate?
The IUPAC name of ethyl 2-(5-formylfuran-2-yl)prop-2-enoate (CID 141152716) is ethyl 2-(5-formylfuran-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(5-formylfuran-2-yl)prop-2-enoate?
The canonical SMILES for ethyl 2-(5-formylfuran-2-yl)prop-2-enoate is C=C(C(=O)OCC)c1ccc(C=O)o1.
What is the InChIKey of ethyl 2-(5-formylfuran-2-yl)prop-2-enoate?
The InChIKey is RHIUISOFPYGYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-3-13-10(12)7(2)9-5-4-8(6-11)14-9/h4-6H,2-3H2,1H3.
What are the key properties of ethyl 2-(5-formylfuran-2-yl)prop-2-enoate?
ethyl 2-(5-formylfuran-2-yl)prop-2-enoate has a molecular weight of 194.19 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-formylfuran-2-yl)prop-2-enoate is sourced from PubChem (CID 141152716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).