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

C7H8N2O3 — CID 17376

IUPAC5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1C(=O)NC(=O)NC1=O
InChIInChI=1S/C7H8N2O3/c1-2-3-4-5(10)8-7(12)9-6(4)11/h2,4H,1,3H2,(H2,8,9,10,11,12)
InChIKeyJLXDSDWQIIJSHV-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.46
Rot. Bonds2

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

5-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 17376) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID17376
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1C(=O)NC(=O)NC1=O
InChIInChI=1S/C7H8N2O3/c1-2-3-4-5(10)8-7(12)9-6(4)11/h2,4H,1,3H2,(H2,8,9,10,11,12)
InChIKeyJLXDSDWQIIJSHV-UHFFFAOYSA-N
XLogP-0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.46
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-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 17376) is 5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCC1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is JLXDSDWQIIJSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-2-3-4-5(10)8-7(12)9-6(4)11/h2,4H,1,3H2,(H2,8,9,10,11,12).
What are the key properties of 5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 168.15 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 17376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).