5-ethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione

C11H18N2O3 — CID 22763202

IUPAC5-ethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCCC(C)N1C(=O)NC(=O)C(CC)C1=O
InChIInChI=1S/C11H18N2O3/c1-4-6-7(3)13-10(15)8(5-2)9(14)12-11(13)16/h7-8H,4-6H2,1-3H3,(H,12,14,16)
InChIKeyIEONRADYHBAOLR-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.28
Rot. Bonds4

About 5-ethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione

5-ethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 22763202) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-ethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID22763202
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name5-ethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCCC(C)N1C(=O)NC(=O)C(CC)C1=O
InChIInChI=1S/C11H18N2O3/c1-4-6-7(3)13-10(15)8(5-2)9(14)12-11(13)16/h7-8H,4-6H2,1-3H3,(H,12,14,16)
InChIKeyIEONRADYHBAOLR-UHFFFAOYSA-N
XLogP1.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione (CID 22763202) is 5-ethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione is CCCC(C)N1C(=O)NC(=O)C(CC)C1=O.
What is the InChIKey of 5-ethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is IEONRADYHBAOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-6-7(3)13-10(15)8(5-2)9(14)12-11(13)16/h7-8H,4-6H2,1-3H3,(H,12,14,16).
What are the key properties of 5-ethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione?
5-ethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 226.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 22763202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).