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

C16H12N2O3 — CID 2248707

IUPAC(5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)NC(=O)/C(=C/c2cccc3ccccc23)C1=O
InChIInChI=1S/C16H12N2O3/c1-18-15(20)13(14(19)17-16(18)21)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-9H,1H3,(H,17,19,21)/b13-9-
InChIKeyQMLNSSHZZBVCCX-LCYFTJDESA-N
MW280.28 g/mol
LogP1.93
Rot. Bonds1

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

(5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione (PubChem CID 2248707) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is (5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
PubChem CID2248707
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name(5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)NC(=O)/C(=C/c2cccc3ccccc23)C1=O
InChIInChI=1S/C16H12N2O3/c1-18-15(20)13(14(19)17-16(18)21)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-9H,1H3,(H,17,19,21)/b13-9-
InChIKeyQMLNSSHZZBVCCX-LCYFTJDESA-N
XLogP1.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
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 (5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-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 (5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione (CID 2248707) is (5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione is CN1C(=O)NC(=O)/C(=C/c2cccc3ccccc23)C1=O.
What is the InChIKey of (5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The InChIKey is QMLNSSHZZBVCCX-LCYFTJDESA-N. The full InChI is InChI=1S/C16H12N2O3/c1-18-15(20)13(14(19)17-16(18)21)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-9H,1H3,(H,17,19,21)/b13-9-.
What are the key properties of (5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
(5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione has a molecular weight of 280.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2248707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).