methyl 3-(5-ethylfuran-2-yl)prop-2-ynoate

C10H10O3 — CID 79084395

IUPACmethyl 3-(5-ethylfuran-2-yl)prop-2-ynoate
SMILESCCc1ccc(C#CC(=O)OC)o1
InChIInChI=1S/C10H10O3/c1-3-8-4-5-9(13-8)6-7-10(11)12-2/h4-5H,3H2,1-2H3
InChIKeyMSFCUFGWDVKKJO-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.37
Rot. Bonds1

About methyl 3-(5-ethylfuran-2-yl)prop-2-ynoate

methyl 3-(5-ethylfuran-2-yl)prop-2-ynoate (PubChem CID 79084395) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is methyl 3-(5-ethylfuran-2-yl)prop-2-ynoate.

Molecular Properties

Compound Namemethyl 3-(5-ethylfuran-2-yl)prop-2-ynoate
PubChem CID79084395
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Namemethyl 3-(5-ethylfuran-2-yl)prop-2-ynoate
SMILESCCc1ccc(C#CC(=O)OC)o1
InChIInChI=1S/C10H10O3/c1-3-8-4-5-9(13-8)6-7-10(11)12-2/h4-5H,3H2,1-2H3
InChIKeyMSFCUFGWDVKKJO-UHFFFAOYSA-N
XLogP1.37
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-(5-ethylfuran-2-yl)prop-2-ynoate 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 methyl 3-(5-ethylfuran-2-yl)prop-2-ynoate?
The IUPAC name of methyl 3-(5-ethylfuran-2-yl)prop-2-ynoate (CID 79084395) is methyl 3-(5-ethylfuran-2-yl)prop-2-ynoate.
What is the SMILES notation for methyl 3-(5-ethylfuran-2-yl)prop-2-ynoate?
The canonical SMILES for methyl 3-(5-ethylfuran-2-yl)prop-2-ynoate is CCc1ccc(C#CC(=O)OC)o1.
What is the InChIKey of methyl 3-(5-ethylfuran-2-yl)prop-2-ynoate?
The InChIKey is MSFCUFGWDVKKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-3-8-4-5-9(13-8)6-7-10(11)12-2/h4-5H,3H2,1-2H3.
What are the key properties of methyl 3-(5-ethylfuran-2-yl)prop-2-ynoate?
methyl 3-(5-ethylfuran-2-yl)prop-2-ynoate has a molecular weight of 178.19 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-ethylfuran-2-yl)prop-2-ynoate is sourced from PubChem (CID 79084395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).