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

C8H10N2O3 — CID 6381685

IUPAC5-[(E)-but-2-enyl]-1,3-diazinane-2,4,6-trione
SMILESC/C=C/CC1C(=O)NC(=O)NC1=O
InChIInChI=1S/C8H10N2O3/c1-2-3-4-5-6(11)9-8(13)10-7(5)12/h2-3,5H,4H2,1H3,(H2,9,10,11,12,13)/b3-2+
InChIKeyOUCCOEXDHVWBIF-NSCUHMNNSA-N
MW182.18 g/mol
LogP-0.07
Rot. Bonds2

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

5-[(E)-but-2-enyl]-1,3-diazinane-2,4,6-trione (PubChem CID 6381685) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-[(E)-but-2-enyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-but-2-enyl]-1,3-diazinane-2,4,6-trione
PubChem CID6381685
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-[(E)-but-2-enyl]-1,3-diazinane-2,4,6-trione
SMILESC/C=C/CC1C(=O)NC(=O)NC1=O
InChIInChI=1S/C8H10N2O3/c1-2-3-4-5-6(11)9-8(13)10-7(5)12/h2-3,5H,4H2,1H3,(H2,9,10,11,12,13)/b3-2+
InChIKeyOUCCOEXDHVWBIF-NSCUHMNNSA-N
XLogP-0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.07
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]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-but-2-enyl]-1,3-diazinane-2,4,6-trione (CID 6381685) is 5-[(E)-but-2-enyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-but-2-enyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-but-2-enyl]-1,3-diazinane-2,4,6-trione is C/C=C/CC1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[(E)-but-2-enyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is OUCCOEXDHVWBIF-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-3-4-5-6(11)9-8(13)10-7(5)12/h2-3,5H,4H2,1H3,(H2,9,10,11,12,13)/b3-2+.
What are the key properties of 5-[(E)-but-2-enyl]-1,3-diazinane-2,4,6-trione?
5-[(E)-but-2-enyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 182.18 g/mol, XLogP of -0.07, 2 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]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 6381685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).