1-(4-methylpent-2-enyl)-1,3-diazinane-2,4,6-trione

C10H14N2O3 — CID 70531797

IUPAC1-(4-methylpent-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)C=CCN1C(=O)CC(=O)NC1=O
InChIInChI=1S/C10H14N2O3/c1-7(2)4-3-5-12-9(14)6-8(13)11-10(12)15/h3-4,7H,5-6H2,1-2H3,(H,11,13,15)
InChIKeyPUODQAOHYHOOQX-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.67
Rot. Bonds3

About 1-(4-methylpent-2-enyl)-1,3-diazinane-2,4,6-trione

1-(4-methylpent-2-enyl)-1,3-diazinane-2,4,6-trione (PubChem CID 70531797) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(4-methylpent-2-enyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(4-methylpent-2-enyl)-1,3-diazinane-2,4,6-trione
PubChem CID70531797
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-(4-methylpent-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)C=CCN1C(=O)CC(=O)NC1=O
InChIInChI=1S/C10H14N2O3/c1-7(2)4-3-5-12-9(14)6-8(13)11-10(12)15/h3-4,7H,5-6H2,1-2H3,(H,11,13,15)
InChIKeyPUODQAOHYHOOQX-UHFFFAOYSA-N
XLogP0.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methylpent-2-enyl)-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpent-2-enyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(4-methylpent-2-enyl)-1,3-diazinane-2,4,6-trione (CID 70531797) is 1-(4-methylpent-2-enyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(4-methylpent-2-enyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(4-methylpent-2-enyl)-1,3-diazinane-2,4,6-trione is CC(C)C=CCN1C(=O)CC(=O)NC1=O.
What is the InChIKey of 1-(4-methylpent-2-enyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is PUODQAOHYHOOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(2)4-3-5-12-9(14)6-8(13)11-10(12)15/h3-4,7H,5-6H2,1-2H3,(H,11,13,15).
What are the key properties of 1-(4-methylpent-2-enyl)-1,3-diazinane-2,4,6-trione?
1-(4-methylpent-2-enyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 210.23 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpent-2-enyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 70531797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).