(2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate

C17H14N2O7 — CID 170372063

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate
SMILESO=C(CN1C(=O)CCC1=O)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H14N2O7/c20-12(9-18-13(21)5-6-14(18)22)10-1-3-11(4-2-10)17(25)26-19-15(23)7-8-16(19)24/h1-4H,5-9H2
InChIKeyPHBWQUBQEHJCMU-UHFFFAOYSA-N
MW358.31 g/mol
LogP0.24
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate

(2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate (PubChem CID 170372063) has the molecular formula C17H14N2O7 and a molecular weight of 358.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate
PubChem CID170372063
Molecular FormulaC17H14N2O7
Molecular Weight358.31 g/mol
Exact Mass358.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate
SMILESO=C(CN1C(=O)CCC1=O)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H14N2O7/c20-12(9-18-13(21)5-6-14(18)22)10-1-3-11(4-2-10)17(25)26-19-15(23)7-8-16(19)24/h1-4H,5-9H2
InChIKeyPHBWQUBQEHJCMU-UHFFFAOYSA-N
XLogP0.24
TPSA118.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 50.24
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

(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate
CID 11110628
1-phenacylpyrrolidine-2,5-dione
CID 717114
(2,5-dioxopyrrolidin-1-yl) 4-ethylbenzoate;ethane
CID 172600342
methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate
CID 89390468
1-[2-(4-ethylphenyl)-2-oxoethyl]azepane-2,7-dione
CID 62023043
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 89197439
1-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 142609418
2-[4,7-bis(carboxymethyl)-10-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 146551010
dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium
CID 140580661
(2,5-dioxopyrrolidin-1-yl) 4-(cyanoamino)benzoate
CID 89373287
(2,5-dioxopyrrolidin-1-yl) 4-[2-(4-methylphenyl)ethynyl]benzoate
CID 129054191
bis((2,5-dioxopyrrolidin-1-yl) 4-(2-carbamothioylhydrazinyl)benzoate);hydrochloride
CID 131717889

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate (CID 170372063) is (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate is O=C(CN1C(=O)CCC1=O)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate?
The InChIKey is PHBWQUBQEHJCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O7/c20-12(9-18-13(21)5-6-14(18)22)10-1-3-11(4-2-10)17(25)26-19-15(23)7-8-16(19)24/h1-4H,5-9H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate?
(2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate has a molecular weight of 358.31 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate is sourced from PubChem (CID 170372063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).