5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

C13H12N2O3 — CID 8274

IUPAC5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(c2ccccc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C13H12N2O3/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h2-7H,1,8H2,(H2,14,15,16,17,18)
InChIKeyWOIGZSBYKGQJGL-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.87
Rot. Bonds3

About 5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 8274) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID8274
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(c2ccccc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C13H12N2O3/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h2-7H,1,8H2,(H2,14,15,16,17,18)
InChIKeyWOIGZSBYKGQJGL-UHFFFAOYSA-N
XLogP0.87
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 8274) is 5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCC1(c2ccccc2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is WOIGZSBYKGQJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h2-7H,1,8H2,(H2,14,15,16,17,18).
What are the key properties of 5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 244.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 8274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).