[2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate

C16H11NO7 — CID 691329

IUPAC[2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H11NO7/c18-13(8-23-16(21)12-6-3-7-22-12)24-9-17-14(19)10-4-1-2-5-11(10)15(17)20/h1-7H,8-9H2
InChIKeyKNLYQVKQNGMFKP-UHFFFAOYSA-N
MW329.26 g/mol
LogP1.23
Rot. Bonds5

About [2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate

[2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate (PubChem CID 691329) has the molecular formula C16H11NO7 and a molecular weight of 329.26 g/mol. Its IUPAC name is [2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate
PubChem CID691329
Molecular FormulaC16H11NO7
Molecular Weight329.26 g/mol
Exact Mass329.05
IUPAC Name[2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H11NO7/c18-13(8-23-16(21)12-6-3-7-22-12)24-9-17-14(19)10-4-1-2-5-11(10)15(17)20/h1-7H,8-9H2
InChIKeyKNLYQVKQNGMFKP-UHFFFAOYSA-N
XLogP1.23
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate
CID 2555543
[4-[2-[3-(1,3-dioxoisoindol-2-yl)propanoyloxy]acetyl]phenyl] furan-2-carboxylate
CID 3989332
bromomethyl furan-2-carboxylate
CID 54363056
(1,3-dioxoisoindol-2-yl)methyl 4-oxochromene-2-carboxylate
CID 7765330
(1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825277
(2-anilino-2-oxoethyl) furan-2-carboxylate
CID 2352919
(1,3-dioxoisoindol-2-yl)methyl 2-(3,4-dimethylphenoxy)acetate
CID 3502927
(1,3-dioxoisoindol-2-yl)methyl 2-methylpropanoate
CID 164850701
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide
CID 4265825
(2-ethoxy-2-oxoethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 27041622
(1,3-dioxoisoindol-2-yl)methyl 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 4020226
(1,3-dioxoisoindol-2-yl)methyl 2-(methylamino)benzoate
CID 16596143

Frequently Asked Questions

What is the IUPAC name of [2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate (CID 691329) is [2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)OCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of [2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate?
The InChIKey is KNLYQVKQNGMFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO7/c18-13(8-23-16(21)12-6-3-7-22-12)24-9-17-14(19)10-4-1-2-5-11(10)15(17)20/h1-7H,8-9H2.
What are the key properties of [2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate?
[2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate has a molecular weight of 329.26 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 691329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).