1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione

C15H16N2O3 — CID 7286919

IUPAC1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione
SMILESC=CCn1ccn(-c2ccc(OCC)cc2)c(=O)c1=O
InChIInChI=1S/C15H16N2O3/c1-3-9-16-10-11-17(15(19)14(16)18)12-5-7-13(8-6-12)20-4-2/h3,5-8,10-11H,1,4,9H2,2H3
InChIKeyDBXSAHJQVITBFE-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.58
Rot. Bonds5

About 1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione

1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione (PubChem CID 7286919) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione
PubChem CID7286919
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione
SMILESC=CCn1ccn(-c2ccc(OCC)cc2)c(=O)c1=O
InChIInChI=1S/C15H16N2O3/c1-3-9-16-10-11-17(15(19)14(16)18)12-5-7-13(8-6-12)20-4-2/h3,5-8,10-11H,1,4,9H2,2H3
InChIKeyDBXSAHJQVITBFE-UHFFFAOYSA-N
XLogP1.58
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione (CID 7286919) is 1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione is C=CCn1ccn(-c2ccc(OCC)cc2)c(=O)c1=O.
What is the InChIKey of 1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione?
The InChIKey is DBXSAHJQVITBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-9-16-10-11-17(15(19)14(16)18)12-5-7-13(8-6-12)20-4-2/h3,5-8,10-11H,1,4,9H2,2H3.
What are the key properties of 1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione?
1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione has a molecular weight of 272.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione is sourced from PubChem (CID 7286919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).