4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione

C12H12N2O4 — CID 3620753

IUPAC4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione
SMILESC=CCn1oc(=O)n(-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C12H12N2O4/c1-3-8-13-11(15)14(12(16)18-13)9-4-6-10(17-2)7-5-9/h3-7H,1,8H2,2H3
InChIKeyRNJOWVFCBRNQKK-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.79
Rot. Bonds4

About 4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione

4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 3620753) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione
PubChem CID3620753
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione
SMILESC=CCn1oc(=O)n(-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C12H12N2O4/c1-3-8-13-11(15)14(12(16)18-13)9-4-6-10(17-2)7-5-9/h3-7H,1,8H2,2H3
InChIKeyRNJOWVFCBRNQKK-UHFFFAOYSA-N
XLogP0.79
TPSA66.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione (CID 3620753) is 4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione is C=CCn1oc(=O)n(-c2ccc(OC)cc2)c1=O.
What is the InChIKey of 4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is RNJOWVFCBRNQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-3-8-13-11(15)14(12(16)18-13)9-4-6-10(17-2)7-5-9/h3-7H,1,8H2,2H3.
What are the key properties of 4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione?
4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 248.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 3620753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).