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

C12H18N2O3 — CID 3065039

IUPAC5,5-diethyl-1-methyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)N(C)C(=O)C(CC)(CC)C1=O
InChIInChI=1S/C12H18N2O3/c1-5-8-14-10(16)12(6-2,7-3)9(15)13(4)11(14)17/h5H,1,6-8H2,2-4H3
InChIKeyCKMKJQCESOBOOT-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.40
Rot. Bonds4

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

5,5-diethyl-1-methyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 3065039) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5,5-diethyl-1-methyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1-methyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID3065039
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5,5-diethyl-1-methyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)N(C)C(=O)C(CC)(CC)C1=O
InChIInChI=1S/C12H18N2O3/c1-5-8-14-10(16)12(6-2,7-3)9(15)13(4)11(14)17/h5H,1,6-8H2,2-4H3
InChIKeyCKMKJQCESOBOOT-UHFFFAOYSA-N
XLogP1.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.40
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-methyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1-methyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 3065039) is 5,5-diethyl-1-methyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1-methyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1-methyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCN1C(=O)N(C)C(=O)C(CC)(CC)C1=O.
What is the InChIKey of 5,5-diethyl-1-methyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is CKMKJQCESOBOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-5-8-14-10(16)12(6-2,7-3)9(15)13(4)11(14)17/h5H,1,6-8H2,2-4H3.
What are the key properties of 5,5-diethyl-1-methyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1-methyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 238.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-methyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3065039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).