3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione

C15H14O3 — CID 57149375

IUPAC3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione
SMILESCCC=C1C(=O)OC(=O)C1C=Cc1ccccc1
InChIInChI=1S/C15H14O3/c1-2-6-12-13(15(17)18-14(12)16)10-9-11-7-4-3-5-8-11/h3-10,13H,2H2,1H3
InChIKeyWWXGVSWSXMIUGN-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.74
Rot. Bonds3

About 3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione

3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione (PubChem CID 57149375) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione.

Molecular Properties

Compound Name3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione
PubChem CID57149375
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione
SMILESCCC=C1C(=O)OC(=O)C1C=Cc1ccccc1
InChIInChI=1S/C15H14O3/c1-2-6-12-13(15(17)18-14(12)16)10-9-11-7-4-3-5-8-11/h3-10,13H,2H2,1H3
InChIKeyWWXGVSWSXMIUGN-UHFFFAOYSA-N
XLogP2.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione?
The IUPAC name of 3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione (CID 57149375) is 3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione.
What is the SMILES notation for 3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione?
The canonical SMILES for 3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione is CCC=C1C(=O)OC(=O)C1C=Cc1ccccc1.
What is the InChIKey of 3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione?
The InChIKey is WWXGVSWSXMIUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-2-6-12-13(15(17)18-14(12)16)10-9-11-7-4-3-5-8-11/h3-10,13H,2H2,1H3.
What are the key properties of 3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione?
3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione has a molecular weight of 242.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione is sourced from PubChem (CID 57149375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).