5-(2-ethylpentylidene)-1,3-diazinane-2,4,6-trione

C11H16N2O3 — CID 144530706

IUPAC5-(2-ethylpentylidene)-1,3-diazinane-2,4,6-trione
SMILESCCCC(C=C1C(=O)NC(=O)NC1=O)CC
InChIInChI=1S/C11H16N2O3/c1-3-5-7(4-2)6-8-9(14)12-11(16)13-10(8)15/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyOREHVODGUWEBDL-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.11
Rot. Bonds4

About 5-(2-ethylpentylidene)-1,3-diazinane-2,4,6-trione

5-(2-ethylpentylidene)-1,3-diazinane-2,4,6-trione (PubChem CID 144530706) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-(2-ethylpentylidene)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2-ethylpentylidene)-1,3-diazinane-2,4,6-trione
PubChem CID144530706
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-(2-ethylpentylidene)-1,3-diazinane-2,4,6-trione
SMILESCCCC(C=C1C(=O)NC(=O)NC1=O)CC
InChIInChI=1S/C11H16N2O3/c1-3-5-7(4-2)6-8-9(14)12-11(16)13-10(8)15/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyOREHVODGUWEBDL-UHFFFAOYSA-N
XLogP1.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
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 5-(2-ethylpentylidene)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2-ethylpentylidene)-1,3-diazinane-2,4,6-trione (CID 144530706) is 5-(2-ethylpentylidene)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2-ethylpentylidene)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2-ethylpentylidene)-1,3-diazinane-2,4,6-trione is CCCC(C=C1C(=O)NC(=O)NC1=O)CC.
What is the InChIKey of 5-(2-ethylpentylidene)-1,3-diazinane-2,4,6-trione?
The InChIKey is OREHVODGUWEBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-5-7(4-2)6-8-9(14)12-11(16)13-10(8)15/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 5-(2-ethylpentylidene)-1,3-diazinane-2,4,6-trione?
5-(2-ethylpentylidene)-1,3-diazinane-2,4,6-trione has a molecular weight of 224.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpentylidene)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 144530706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).