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

C10H14N2O3 — CID 5364821

IUPAC5-[(E)-but-2-enyl]-5-ethyl-1,3-diazinane-2,4,6-trione
SMILESC/C=C/CC1(CC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H14N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3,5H,4,6H2,1-2H3,(H2,11,12,13,14,15)/b5-3+
InChIKeyKNMOHCLEINXVBG-HWKANZROSA-N
MW210.23 g/mol
LogP0.71
Rot. Bonds3

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

5-[(E)-but-2-enyl]-5-ethyl-1,3-diazinane-2,4,6-trione (PubChem CID 5364821) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-[(E)-but-2-enyl]-5-ethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-but-2-enyl]-5-ethyl-1,3-diazinane-2,4,6-trione
PubChem CID5364821
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-[(E)-but-2-enyl]-5-ethyl-1,3-diazinane-2,4,6-trione
SMILESC/C=C/CC1(CC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H14N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3,5H,4,6H2,1-2H3,(H2,11,12,13,14,15)/b5-3+
InChIKeyKNMOHCLEINXVBG-HWKANZROSA-N
XLogP0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.71
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-[(E)-but-2-enyl]-5-ethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-but-2-enyl]-5-ethyl-1,3-diazinane-2,4,6-trione (CID 5364821) is 5-[(E)-but-2-enyl]-5-ethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-but-2-enyl]-5-ethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-but-2-enyl]-5-ethyl-1,3-diazinane-2,4,6-trione is C/C=C/CC1(CC)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[(E)-but-2-enyl]-5-ethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is KNMOHCLEINXVBG-HWKANZROSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3,5H,4,6H2,1-2H3,(H2,11,12,13,14,15)/b5-3+.
What are the key properties of 5-[(E)-but-2-enyl]-5-ethyl-1,3-diazinane-2,4,6-trione?
5-[(E)-but-2-enyl]-5-ethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 210.23 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-enyl]-5-ethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 5364821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).