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

C7H8N2O3 — CID 12910100

IUPAC1,3-dimethyl-5-methylidene-1,3-diazinane-2,4,6-trione
SMILESC=C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C7H8N2O3/c1-4-5(10)8(2)7(12)9(3)6(4)11/h1H2,2-3H3
InChIKeyNBBYUFSONWTACO-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.41
Rot. Bonds

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

1,3-dimethyl-5-methylidene-1,3-diazinane-2,4,6-trione (PubChem CID 12910100) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 1,3-dimethyl-5-methylidene-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-methylidene-1,3-diazinane-2,4,6-trione
PubChem CID12910100
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name1,3-dimethyl-5-methylidene-1,3-diazinane-2,4,6-trione
SMILESC=C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C7H8N2O3/c1-4-5(10)8(2)7(12)9(3)6(4)11/h1H2,2-3H3
InChIKeyNBBYUFSONWTACO-UHFFFAOYSA-N
XLogP-0.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
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 1,3-dimethyl-5-methylidene-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-methylidene-1,3-diazinane-2,4,6-trione (CID 12910100) is 1,3-dimethyl-5-methylidene-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-methylidene-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-methylidene-1,3-diazinane-2,4,6-trione is C=C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-methylidene-1,3-diazinane-2,4,6-trione?
The InChIKey is NBBYUFSONWTACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4-5(10)8(2)7(12)9(3)6(4)11/h1H2,2-3H3.
What are the key properties of 1,3-dimethyl-5-methylidene-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-methylidene-1,3-diazinane-2,4,6-trione has a molecular weight of 168.15 g/mol, XLogP of -0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-methylidene-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 12910100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).