1-methyl-5-methylidene-1,3-diazinane-2,4,6-trione

C6H6N2O3 — CID 58827624

IUPAC1-methyl-5-methylidene-1,3-diazinane-2,4,6-trione
SMILESC=C1C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C6H6N2O3/c1-3-4(9)7-6(11)8(2)5(3)10/h1H2,2H3,(H,7,9,11)
InChIKeyWWYZGWRFYRCHNZ-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.75
Rot. Bonds

About 1-methyl-5-methylidene-1,3-diazinane-2,4,6-trione

1-methyl-5-methylidene-1,3-diazinane-2,4,6-trione (PubChem CID 58827624) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 1-methyl-5-methylidene-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-methyl-5-methylidene-1,3-diazinane-2,4,6-trione
PubChem CID58827624
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name1-methyl-5-methylidene-1,3-diazinane-2,4,6-trione
SMILESC=C1C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C6H6N2O3/c1-3-4(9)7-6(11)8(2)5(3)10/h1H2,2H3,(H,7,9,11)
InChIKeyWWYZGWRFYRCHNZ-UHFFFAOYSA-N
XLogP-0.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.75
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylidene-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-methyl-5-methylidene-1,3-diazinane-2,4,6-trione (CID 58827624) is 1-methyl-5-methylidene-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-methyl-5-methylidene-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-methyl-5-methylidene-1,3-diazinane-2,4,6-trione is C=C1C(=O)NC(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-5-methylidene-1,3-diazinane-2,4,6-trione?
The InChIKey is WWYZGWRFYRCHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-3-4(9)7-6(11)8(2)5(3)10/h1H2,2H3,(H,7,9,11).
What are the key properties of 1-methyl-5-methylidene-1,3-diazinane-2,4,6-trione?
1-methyl-5-methylidene-1,3-diazinane-2,4,6-trione has a molecular weight of 154.12 g/mol, XLogP of -0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylidene-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 58827624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).