5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione

C15H14N2O6 — CID 102552593

IUPAC5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione
SMILESCC1Cc2cc(C(=O)CC3(O)C(=O)NC(=O)NC3=O)ccc2O1
InChIInChI=1S/C15H14N2O6/c1-7-4-9-5-8(2-3-11(9)23-7)10(18)6-15(22)12(19)16-14(21)17-13(15)20/h2-3,5,7,22H,4,6H2,1H3,(H2,16,17,19,20,21)
InChIKeyRCHNUTZTFGPTHV-UHFFFAOYSA-N
MW318.29 g/mol
LogP-0.32
Rot. Bonds3

About 5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione

5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione (PubChem CID 102552593) has the molecular formula C15H14N2O6 and a molecular weight of 318.29 g/mol. Its IUPAC name is 5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione
PubChem CID102552593
Molecular FormulaC15H14N2O6
Molecular Weight318.29 g/mol
Exact Mass318.09
IUPAC Name5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione
SMILESCC1Cc2cc(C(=O)CC3(O)C(=O)NC(=O)NC3=O)ccc2O1
InChIInChI=1S/C15H14N2O6/c1-7-4-9-5-8(2-3-11(9)23-7)10(18)6-15(22)12(19)16-14(21)17-13(15)20/h2-3,5,7,22H,4,6H2,1H3,(H2,16,17,19,20,21)
InChIKeyRCHNUTZTFGPTHV-UHFFFAOYSA-N
XLogP-0.32
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 3468963
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(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone
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dimethyl-[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-oxopropyl]azanium chloride
CID 18529669
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476480
3-(azepan-1-yl)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-one
CID 40544064
2-chloro-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 43297026
(1-methylcyclohexyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 106826587
(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297054
2-(3-ethoxycyclobutyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 103162440
cyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione (CID 102552593) is 5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione is CC1Cc2cc(C(=O)CC3(O)C(=O)NC(=O)NC3=O)ccc2O1.
What is the InChIKey of 5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is RCHNUTZTFGPTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O6/c1-7-4-9-5-8(2-3-11(9)23-7)10(18)6-15(22)12(19)16-14(21)17-13(15)20/h2-3,5,7,22H,4,6H2,1H3,(H2,16,17,19,20,21).
What are the key properties of 5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione?
5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 318.29 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 102552593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).