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

C12H16N2O3 — CID 67259344

IUPAC1-ethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC=C)C(=O)NC(=O)N(CC)C1=O
InChIInChI=1S/C12H16N2O3/c1-4-7-12(8-5-2)9(15)13-11(17)14(6-3)10(12)16/h4-5H,1-2,6-8H2,3H3,(H,13,15,17)
InChIKeyLTYGGCOJNCKKDK-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.22
Rot. Bonds5

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

1-ethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (PubChem CID 67259344) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-ethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-ethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
PubChem CID67259344
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-ethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC=C)C(=O)NC(=O)N(CC)C1=O
InChIInChI=1S/C12H16N2O3/c1-4-7-12(8-5-2)9(15)13-11(17)14(6-3)10(12)16/h4-5H,1-2,6-8H2,3H3,(H,13,15,17)
InChIKeyLTYGGCOJNCKKDK-UHFFFAOYSA-N
XLogP1.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
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-ethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-ethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (CID 67259344) is 1-ethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-ethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-ethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is C=CCC1(CC=C)C(=O)NC(=O)N(CC)C1=O.
What is the InChIKey of 1-ethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is LTYGGCOJNCKKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-7-12(8-5-2)9(15)13-11(17)14(6-3)10(12)16/h4-5H,1-2,6-8H2,3H3,(H,13,15,17).
What are the key properties of 1-ethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
1-ethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 236.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 67259344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).