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

C13H12N2O4 — CID 102461648

IUPAC1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)NC(=O)C(C(=O)Cc2ccccc2)C1=O
InChIInChI=1S/C13H12N2O4/c1-15-12(18)10(11(17)14-13(15)19)9(16)7-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,14,17,19)
InChIKeyVHHRUNXFWPNBFA-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.12
Rot. Bonds3

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

1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione (PubChem CID 102461648) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione
PubChem CID102461648
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)NC(=O)C(C(=O)Cc2ccccc2)C1=O
InChIInChI=1S/C13H12N2O4/c1-15-12(18)10(11(17)14-13(15)19)9(16)7-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,14,17,19)
InChIKeyVHHRUNXFWPNBFA-UHFFFAOYSA-N
XLogP0.12
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione
CID 124528060
1-methyl-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 67491873
(5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 817582
cis-(2S,4S)-4-chloro-5,5-dimethyl-2-(2-phenylacetyl)cyclohexane-1,3-dione
CID 98095717
1-(1-methylpyrrolidin-2-yl)-2-phenylethanone
CID 129033929
(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
CID 165148051
1-(3-methylbut-2-enyl)-3-(3-methylbutyl)-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione
CID 70155955
5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 6983496
tris(2-phenylacetic acid);rhodium
CID 11168112
2-phenylacetic acid;dihydrate
CID 168967514
2-phenylacetic acid;silver
CID 50912513
copper 2-phenylacetic acid
CID 54609410

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione (CID 102461648) is 1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione is CN1C(=O)NC(=O)C(C(=O)Cc2ccccc2)C1=O.
What is the InChIKey of 1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is VHHRUNXFWPNBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-15-12(18)10(11(17)14-13(15)19)9(16)7-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,14,17,19).
What are the key properties of 1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione?
1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 260.25 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 102461648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).