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

C15H10N2O3 — CID 2803014

IUPAC5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=Cc2cccc3ccccc23)C(=O)N1
InChIInChI=1S/C15H10N2O3/c18-13-12(14(19)17-15(20)16-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H2,16,17,18,19,20)
InChIKeyIRRHWYDVBCZPOS-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.59
Rot. Bonds1

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

5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione (PubChem CID 2803014) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
PubChem CID2803014
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=Cc2cccc3ccccc23)C(=O)N1
InChIInChI=1S/C15H10N2O3/c18-13-12(14(19)17-15(20)16-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H2,16,17,18,19,20)
InChIKeyIRRHWYDVBCZPOS-UHFFFAOYSA-N
XLogP1.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.59
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-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione (CID 2803014) is 5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(=Cc2cccc3ccccc23)C(=O)N1.
What is the InChIKey of 5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The InChIKey is IRRHWYDVBCZPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-13-12(14(19)17-15(20)16-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H2,16,17,18,19,20).
What are the key properties of 5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione has a molecular weight of 266.26 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2803014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).