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

C15H16N2O2 — CID 30566185

IUPAC1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione
SMILESC=CCn1ccn(-c2cccc(CC)c2)c(=O)c1=O
InChIInChI=1S/C15H16N2O2/c1-3-8-16-9-10-17(15(19)14(16)18)13-7-5-6-12(4-2)11-13/h3,5-7,9-11H,1,4,8H2,2H3
InChIKeyVUAMRRZUGFTRRS-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.75
Rot. Bonds4

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

1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione (PubChem CID 30566185) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione
PubChem CID30566185
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione
SMILESC=CCn1ccn(-c2cccc(CC)c2)c(=O)c1=O
InChIInChI=1S/C15H16N2O2/c1-3-8-16-9-10-17(15(19)14(16)18)13-7-5-6-12(4-2)11-13/h3,5-7,9-11H,1,4,8H2,2H3
InChIKeyVUAMRRZUGFTRRS-UHFFFAOYSA-N
XLogP1.75
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione 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 1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione?
The IUPAC name of 1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione (CID 30566185) is 1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione.
What is the SMILES notation for 1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione?
The canonical SMILES for 1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione is C=CCn1ccn(-c2cccc(CC)c2)c(=O)c1=O.
What is the InChIKey of 1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione?
The InChIKey is VUAMRRZUGFTRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-8-16-9-10-17(15(19)14(16)18)13-7-5-6-12(4-2)11-13/h3,5-7,9-11H,1,4,8H2,2H3.
What are the key properties of 1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione?
1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione has a molecular weight of 256.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione is sourced from PubChem (CID 30566185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).