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

C9H14N2O3 — CID 6455

IUPAC5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCC1(C(C)C)C(=O)NC(=O)NC1=O
InChIInChI=1S/C9H14N2O3/c1-4-9(5(2)3)6(12)10-8(14)11-7(9)13/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyHHLXJTDUHFBYAU-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.40
Rot. Bonds2

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

5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 6455) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID6455
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCC1(C(C)C)C(=O)NC(=O)NC1=O
InChIInChI=1S/C9H14N2O3/c1-4-9(5(2)3)6(12)10-8(14)11-7(9)13/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyHHLXJTDUHFBYAU-UHFFFAOYSA-N
XLogP0.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.40
H-Bond Donors ≤ 52
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-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CID 6455) is 5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is CCC1(C(C)C)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is HHLXJTDUHFBYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-9(5(2)3)6(12)10-8(14)11-7(9)13/h5H,4H2,1-3H3,(H2,10,11,12,13,14).
What are the key properties of 5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 198.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 6455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).