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

C14H20N2O3 — CID 67258942

IUPAC1,3-diethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC=C)C(=O)N(CC)C(=O)N(CC)C1=O
InChIInChI=1S/C14H20N2O3/c1-5-9-14(10-6-2)11(17)15(7-3)13(19)16(8-4)12(14)18/h5-6H,1-2,7-10H2,3-4H3
InChIKeyUUCXEOIZJOXKSI-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.96
Rot. Bonds6

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

1,3-diethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (PubChem CID 67258942) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1,3-diethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-diethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
PubChem CID67258942
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1,3-diethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC=C)C(=O)N(CC)C(=O)N(CC)C1=O
InChIInChI=1S/C14H20N2O3/c1-5-9-14(10-6-2)11(17)15(7-3)13(19)16(8-4)12(14)18/h5-6H,1-2,7-10H2,3-4H3
InChIKeyUUCXEOIZJOXKSI-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 1,3-diethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-diethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (CID 67258942) is 1,3-diethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-diethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-diethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is C=CCC1(CC=C)C(=O)N(CC)C(=O)N(CC)C1=O.
What is the InChIKey of 1,3-diethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is UUCXEOIZJOXKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-9-14(10-6-2)11(17)15(7-3)13(19)16(8-4)12(14)18/h5-6H,1-2,7-10H2,3-4H3.
What are the key properties of 1,3-diethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
1,3-diethyl-5,5-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 1,3-diethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 67258942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).