1,3-diethyl-5-methylidene-1,3-diazinane-2,4,6-trione

C9H12N2O3 — CID 23558162

IUPAC1,3-diethyl-5-methylidene-1,3-diazinane-2,4,6-trione
SMILESC=C1C(=O)N(CC)C(=O)N(CC)C1=O
InChIInChI=1S/C9H12N2O3/c1-4-10-7(12)6(3)8(13)11(5-2)9(10)14/h3-5H2,1-2H3
InChIKeyCKKWNRRAZQQALT-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.37
Rot. Bonds2

About 1,3-diethyl-5-methylidene-1,3-diazinane-2,4,6-trione

1,3-diethyl-5-methylidene-1,3-diazinane-2,4,6-trione (PubChem CID 23558162) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1,3-diethyl-5-methylidene-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-diethyl-5-methylidene-1,3-diazinane-2,4,6-trione
PubChem CID23558162
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1,3-diethyl-5-methylidene-1,3-diazinane-2,4,6-trione
SMILESC=C1C(=O)N(CC)C(=O)N(CC)C1=O
InChIInChI=1S/C9H12N2O3/c1-4-10-7(12)6(3)8(13)11(5-2)9(10)14/h3-5H2,1-2H3
InChIKeyCKKWNRRAZQQALT-UHFFFAOYSA-N
XLogP0.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-methylidene-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-diethyl-5-methylidene-1,3-diazinane-2,4,6-trione (CID 23558162) is 1,3-diethyl-5-methylidene-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-diethyl-5-methylidene-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-diethyl-5-methylidene-1,3-diazinane-2,4,6-trione is C=C1C(=O)N(CC)C(=O)N(CC)C1=O.
What is the InChIKey of 1,3-diethyl-5-methylidene-1,3-diazinane-2,4,6-trione?
The InChIKey is CKKWNRRAZQQALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-4-10-7(12)6(3)8(13)11(5-2)9(10)14/h3-5H2,1-2H3.
What are the key properties of 1,3-diethyl-5-methylidene-1,3-diazinane-2,4,6-trione?
1,3-diethyl-5-methylidene-1,3-diazinane-2,4,6-trione has a molecular weight of 196.21 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-methylidene-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 23558162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).