5-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione

C11H16N2O3 — CID 5381675

IUPAC5-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione
SMILESC/C=C/C1(CCCC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H16N2O3/c1-3-5-7-11(6-4-2)8(14)12-10(16)13-9(11)15/h4,6H,3,5,7H2,1-2H3,(H2,12,13,14,15,16)/b6-4+
InChIKeyWAMWJEORSQYEQD-GQCTYLIASA-N
MW224.26 g/mol
LogP1.11
Rot. Bonds4

About 5-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione

5-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione (PubChem CID 5381675) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione
PubChem CID5381675
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione
SMILESC/C=C/C1(CCCC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H16N2O3/c1-3-5-7-11(6-4-2)8(14)12-10(16)13-9(11)15/h4,6H,3,5,7H2,1-2H3,(H2,12,13,14,15,16)/b6-4+
InChIKeyWAMWJEORSQYEQD-GQCTYLIASA-N
XLogP1.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.11
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-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione (CID 5381675) is 5-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione is C/C=C/C1(CCCC)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is WAMWJEORSQYEQD-GQCTYLIASA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-5-7-11(6-4-2)8(14)12-10(16)13-9(11)15/h4,6H,3,5,7H2,1-2H3,(H2,12,13,14,15,16)/b6-4+.
What are the key properties of 5-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione?
5-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 224.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 5381675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).