5-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-diazinane-2,4,6-trione

C10H8N2O3 — CID 70884312

IUPAC5-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=CC2=CC=CC2)C(=O)N1
InChIInChI=1S/C10H8N2O3/c13-8-7(5-6-3-1-2-4-6)9(14)12-10(15)11-8/h1-3,5H,4H2,(H2,11,12,13,14,15)
InChIKeyAZHUZSJPOBXCSQ-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.17
Rot. Bonds1

About 5-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-diazinane-2,4,6-trione

5-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-diazinane-2,4,6-trione (PubChem CID 70884312) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
PubChem CID70884312
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name5-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=CC2=CC=CC2)C(=O)N1
InChIInChI=1S/C10H8N2O3/c13-8-7(5-6-3-1-2-4-6)9(14)12-10(15)11-8/h1-3,5H,4H2,(H2,11,12,13,14,15)
InChIKeyAZHUZSJPOBXCSQ-UHFFFAOYSA-N
XLogP0.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.17
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-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-diazinane-2,4,6-trione (CID 70884312) is 5-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(=CC2=CC=CC2)C(=O)N1.
What is the InChIKey of 5-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The InChIKey is AZHUZSJPOBXCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-8-7(5-6-3-1-2-4-6)9(14)12-10(15)11-8/h1-3,5H,4H2,(H2,11,12,13,14,15).
What are the key properties of 5-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
5-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-diazinane-2,4,6-trione has a molecular weight of 204.19 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 70884312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).