1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione

C14H14N2O4 — CID 115948392

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC1(C)C(=O)NC(=O)N(C2COc3ccccc32)C1=O
InChIInChI=1S/C14H14N2O4/c1-14(2)11(17)15-13(19)16(12(14)18)9-7-20-10-6-4-3-5-8(9)10/h3-6,9H,7H2,1-2H3,(H,15,17,19)
InChIKeyVQWLYYUQVVYOPZ-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.22
Rot. Bonds1

About 1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione

1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 115948392) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID115948392
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC1(C)C(=O)NC(=O)N(C2COc3ccccc32)C1=O
InChIInChI=1S/C14H14N2O4/c1-14(2)11(17)15-13(19)16(12(14)18)9-7-20-10-6-4-3-5-8(9)10/h3-6,9H,7H2,1-2H3,(H,15,17,19)
InChIKeyVQWLYYUQVVYOPZ-UHFFFAOYSA-N
XLogP1.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.22
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

1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine
CID 125478085
1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione
CID 112597991
1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine
CID 64932917
2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)isoindole-1,3-dione
CID 13375158
7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946932
1-(4,4-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112601085
2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79925169
4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane
CID 64954431
N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 45088771
(1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one
CID 10519337
4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid
CID 104524822
1,1-diethyl-3,8b-dihydro-2aH-cyclobuta[c]chromen-2-one
CID 81421321

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione (CID 115948392) is 1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione is CC1(C)C(=O)NC(=O)N(C2COc3ccccc32)C1=O.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is VQWLYYUQVVYOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-14(2)11(17)15-13(19)16(12(14)18)9-7-20-10-6-4-3-5-8(9)10/h3-6,9H,7H2,1-2H3,(H,15,17,19).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 274.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115948392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).