5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione

C15H16N2O4 — CID 3065942

IUPAC5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione
SMILESC=CCC(c1ccc(OC)cc1)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C15H16N2O4/c1-3-4-11(9-5-7-10(21-2)8-6-9)12-13(18)16-15(20)17-14(12)19/h3,5-8,11-12H,1,4H2,2H3,(H2,16,17,18,19,20)
InChIKeyDUNCPRPBOVGNFW-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.34
Rot. Bonds5

About 5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione

5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione (PubChem CID 3065942) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione
PubChem CID3065942
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione
SMILESC=CCC(c1ccc(OC)cc1)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C15H16N2O4/c1-3-4-11(9-5-7-10(21-2)8-6-9)12-13(18)16-15(20)17-14(12)19/h3,5-8,11-12H,1,4H2,2H3,(H2,16,17,18,19,20)
InChIKeyDUNCPRPBOVGNFW-UHFFFAOYSA-N
XLogP1.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione (CID 3065942) is 5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione is C=CCC(c1ccc(OC)cc1)C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is DUNCPRPBOVGNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-4-11(9-5-7-10(21-2)8-6-9)12-13(18)16-15(20)17-14(12)19/h3,5-8,11-12H,1,4H2,2H3,(H2,16,17,18,19,20).
What are the key properties of 5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione?
5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 288.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3065942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).