(2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate

C17H11NO5 — CID 145370236

IUPAC(2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C17H11NO5/c19-15-7-8-16(20)18(15)23-17(21)10-5-6-14-12(9-10)11-3-1-2-4-13(11)22-14/h1-6,9H,7-8H2
InChIKeyIIQGZKKWEAPQJH-UHFFFAOYSA-N
MW309.28 g/mol
LogP2.81
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate

(2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate (PubChem CID 145370236) has the molecular formula C17H11NO5 and a molecular weight of 309.28 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate
PubChem CID145370236
Molecular FormulaC17H11NO5
Molecular Weight309.28 g/mol
Exact Mass309.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C17H11NO5/c19-15-7-8-16(20)18(15)23-17(21)10-5-6-14-12(9-10)11-3-1-2-4-13(11)22-14/h1-6,9H,7-8H2
InChIKeyIIQGZKKWEAPQJH-UHFFFAOYSA-N
XLogP2.81
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl dibenzofuran-2-carboxylate
CID 3702628
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2-(3-oxoxanthen-9-yl)benzoic acid;5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2-(3-oxoxanthen-9-yl)benzoic acid
CID 172641401
(2,5-dioxopyrrolidin-1-yl) 3-(125I)iodobenzoate
CID 15597939
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
(2,5-dioxopyrrolidin-1-yl) 4-chloro-3-methylbenzoate
CID 71364832
1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane
CID 170789790
1-dibenzofuran-2-yl-2-phenylethanone
CID 15691957
(2,5-dioxopyrrolidin-1-yl) 3H-benzimidazole-5-carboxylate
CID 101239642
bis(2,5-dioxopyrrolidin-1-yl) 5-iodobenzene-1,3-dicarboxylate
CID 146663056
1-dibenzofuran-2-yl-3-methylbutan-1-one
CID 43160223
2-prop-1-en-2-yldibenzofuran
CID 142504770

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate (CID 145370236) is (2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate is O=C(ON1C(=O)CCC1=O)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate?
The InChIKey is IIQGZKKWEAPQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO5/c19-15-7-8-16(20)18(15)23-17(21)10-5-6-14-12(9-10)11-3-1-2-4-13(11)22-14/h1-6,9H,7-8H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate?
(2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate has a molecular weight of 309.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate is sourced from PubChem (CID 145370236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).