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

C10H12N2O3 — CID 59340480

IUPAC5-(cyclopentylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=CC2CCCC2)C(=O)N1
InChIInChI=1S/C10H12N2O3/c13-8-7(5-6-3-1-2-4-6)9(14)12-10(15)11-8/h5-6H,1-4H2,(H2,11,12,13,14,15)
InChIKeyUVZIFRCATBFFOQ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.47
Rot. Bonds1

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

5-(cyclopentylmethylidene)-1,3-diazinane-2,4,6-trione (PubChem CID 59340480) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-(cyclopentylmethylidene)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(cyclopentylmethylidene)-1,3-diazinane-2,4,6-trione
PubChem CID59340480
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name5-(cyclopentylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=CC2CCCC2)C(=O)N1
InChIInChI=1S/C10H12N2O3/c13-8-7(5-6-3-1-2-4-6)9(14)12-10(15)11-8/h5-6H,1-4H2,(H2,11,12,13,14,15)
InChIKeyUVZIFRCATBFFOQ-UHFFFAOYSA-N
XLogP0.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.47
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'}

Analyze 5-(cyclopentylmethylidene)-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 5-(cyclopentylmethylidene)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(cyclopentylmethylidene)-1,3-diazinane-2,4,6-trione (CID 59340480) is 5-(cyclopentylmethylidene)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(cyclopentylmethylidene)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(cyclopentylmethylidene)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(=CC2CCCC2)C(=O)N1.
What is the InChIKey of 5-(cyclopentylmethylidene)-1,3-diazinane-2,4,6-trione?
The InChIKey is UVZIFRCATBFFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-8-7(5-6-3-1-2-4-6)9(14)12-10(15)11-8/h5-6H,1-4H2,(H2,11,12,13,14,15).
What are the key properties of 5-(cyclopentylmethylidene)-1,3-diazinane-2,4,6-trione?
5-(cyclopentylmethylidene)-1,3-diazinane-2,4,6-trione has a molecular weight of 208.22 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethylidene)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 59340480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).