(5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione

C13H12N2O5 — CID 98095450

IUPAC(5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione
SMILESCOc1ccccc1N1C(=O)NC(=O)[C@@H](C(C)=O)C1=O
InChIInChI=1S/C13H12N2O5/c1-7(16)10-11(17)14-13(19)15(12(10)18)8-5-3-4-6-9(8)20-2/h3-6,10H,1-2H3,(H,14,17,19)/t10-/m1/s1
InChIKeyIMGPCNXWRDKGGY-SNVBAGLBSA-N
MW276.25 g/mol
LogP0.48
Rot. Bonds3

About (5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione

(5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 98095450) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is (5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID98095450
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name(5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione
SMILESCOc1ccccc1N1C(=O)NC(=O)[C@@H](C(C)=O)C1=O
InChIInChI=1S/C13H12N2O5/c1-7(16)10-11(17)14-13(19)15(12(10)18)8-5-3-4-6-9(8)20-2/h3-6,10H,1-2H3,(H,14,17,19)/t10-/m1/s1
InChIKeyIMGPCNXWRDKGGY-SNVBAGLBSA-N
XLogP0.48
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-acetyl-1-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
CID 98095443
(5R)-1-(2-methoxyphenyl)-5-[(E)-3-pyridin-4-ylprop-2-enoyl]-1,3-diazinane-2,4,6-trione
CID 7659980
5-acetyl-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 3277901
5-(2-chloroacetyl)-1,3-bis(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15054938
1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1380841
5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 106110763
2-(2-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2847719
3-(2-methoxyphenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 43558028
(15S,19R)-1-(hydroxymethyl)-17-(2-methoxyphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 7375174
4-(2-methoxyphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 2829122
(1S,2R,3S,7S,8S,9R,10S,14R)-5,12-bis(2-methoxyphenyl)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
CID 124722645
(3aR,4R,7R,7aS)-2-(2-methoxyphenyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 98198039

Frequently Asked Questions

What is the IUPAC name of (5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione (CID 98095450) is (5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione is COc1ccccc1N1C(=O)NC(=O)[C@@H](C(C)=O)C1=O.
What is the InChIKey of (5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is IMGPCNXWRDKGGY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-7(16)10-11(17)14-13(19)15(12(10)18)8-5-3-4-6-9(8)20-2/h3-6,10H,1-2H3,(H,14,17,19)/t10-/m1/s1.
What are the key properties of (5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione?
(5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 276.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 98095450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).