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

C10H12N2O3 — CID 5842

IUPAC5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC=C)C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
InChIKeyFDQGNLOWMMVRQL-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.49
Rot. Bonds4

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

5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (PubChem CID 5842) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
PubChem CID5842
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC=C)C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
InChIKeyFDQGNLOWMMVRQL-UHFFFAOYSA-N
XLogP0.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.49
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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Related Compounds

Talbutal
CID 8275
Secobarbital
CID 5193
Butalbital
CID 2481
Aprobarbital
CID 6464
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-propenyl)-
CID 48542
Vinbarbital
CID 5284636
Crotarbital
CID 5364821
5-((1R)-1-Methylbutyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 31143
5-((1S)-1-Methylbutyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 30019
1,3-Dimethyl-5,5-di-2-propen-1-yl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 12880
5-(2-Propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 17376
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(2-propenyl)-
CID 48522

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (CID 5842) is 5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is C=CCC1(CC=C)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is FDQGNLOWMMVRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15).
What are the key properties of 5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 208.22 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 5842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).