(5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione

C12H10N2O4 — CID 124528060

IUPAC(5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)NC(=O)[C@@H](C(=O)c2ccccc2)C1=O
InChIInChI=1S/C12H10N2O4/c1-14-11(17)8(10(16)13-12(14)18)9(15)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,13,16,18)/t8-/m1/s1
InChIKeyWXFOCSQVQRJWKG-MRVPVSSYSA-N
MW246.22 g/mol
LogP0.19
Rot. Bonds2

About (5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione

(5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione (PubChem CID 124528060) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is (5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione
PubChem CID124528060
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name(5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)NC(=O)[C@@H](C(=O)c2ccccc2)C1=O
InChIInChI=1S/C12H10N2O4/c1-14-11(17)8(10(16)13-12(14)18)9(15)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,13,16,18)/t8-/m1/s1
InChIKeyWXFOCSQVQRJWKG-MRVPVSSYSA-N
XLogP0.19
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (5R)-5-benzoyl-1-methyl-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

Related Compounds

1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione
CID 102461648
(5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 817582
2-benzoylcyclopentane-1,3-dione
CID 15625879
1-methyl-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 67491873
9,10-dihydroacridin-9-yl(phenyl)methanone
CID 59539896
3-benzoylpyrrolidine-2,5-dione
CID 15178182
1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 141055263
(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone
CID 4269490
5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 6983496
2-benzoyl-4-ethoxy-5-methylcyclopent-4-ene-1,3-dione
CID 10777582
2-benzoyl-4-methyl-1,4-thiazin-3-one
CID 134987118
3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione)
CID 174708044

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione (CID 124528060) is (5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione is CN1C(=O)NC(=O)[C@@H](C(=O)c2ccccc2)C1=O.
What is the InChIKey of (5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione?
The InChIKey is WXFOCSQVQRJWKG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-14-11(17)8(10(16)13-12(14)18)9(15)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,13,16,18)/t8-/m1/s1.
What are the key properties of (5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione?
(5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione has a molecular weight of 246.22 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 124528060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).