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

C14H20N2O3 — CID 26521

IUPAC5,5-diethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)N(CC=C)C(=O)C(CC)(CC)C1=O
InChIInChI=1S/C14H20N2O3/c1-5-9-15-11(17)14(7-3,8-4)12(18)16(10-6-2)13(15)19/h5-6H,1-2,7-10H2,3-4H3
InChIKeyOQJNEKQRESAPIR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.96
Rot. Bonds6

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

5,5-diethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (PubChem CID 26521) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5,5-diethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
PubChem CID26521
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5,5-diethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)N(CC=C)C(=O)C(CC)(CC)C1=O
InChIInChI=1S/C14H20N2O3/c1-5-9-15-11(17)14(7-3,8-4)12(18)16(10-6-2)13(15)19/h5-6H,1-2,7-10H2,3-4H3
InChIKeyOQJNEKQRESAPIR-UHFFFAOYSA-N
XLogP1.96
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
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 5,5-diethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (CID 26521) is 5,5-diethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is C=CCN1C(=O)N(CC=C)C(=O)C(CC)(CC)C1=O.
What is the InChIKey of 5,5-diethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is OQJNEKQRESAPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-9-15-11(17)14(7-3,8-4)12(18)16(10-6-2)13(15)19/h5-6H,1-2,7-10H2,3-4H3.
What are the key properties of 5,5-diethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 264.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 26521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).