(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate

C16H12N2O6 — CID 13421299

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate
SMILESO=C(Cc1ccc(N2C(=O)C=CC2=O)cc1)ON1C(=O)CCC1=O
InChIInChI=1S/C16H12N2O6/c19-12-5-6-13(20)17(12)11-3-1-10(2-4-11)9-16(23)24-18-14(21)7-8-15(18)22/h1-6H,7-9H2
InChIKeyRFBOLBORLAOARY-UHFFFAOYSA-N
MW328.28 g/mol
LogP0.27
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate (PubChem CID 13421299) has the molecular formula C16H12N2O6 and a molecular weight of 328.28 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate
PubChem CID13421299
Molecular FormulaC16H12N2O6
Molecular Weight328.28 g/mol
Exact Mass328.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate
SMILESO=C(Cc1ccc(N2C(=O)C=CC2=O)cc1)ON1C(=O)CCC1=O
InChIInChI=1S/C16H12N2O6/c19-12-5-6-13(20)17(12)11-3-1-10(2-4-11)9-16(23)24-18-14(21)7-8-15(18)22/h1-6H,7-9H2
InChIKeyRFBOLBORLAOARY-UHFFFAOYSA-N
XLogP0.27
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate
CID 19969059
prop-2-enyl 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate
CID 46949350
[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-phenylmethyl] 4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoate
CID 90373390
(2,5-dioxopyrrolidin-1-yl) 2-(4-iodophenyl)acetate;1-hydroxypyrrolidine-2,5-dione;2-(4-iodophenyl)acetic acid
CID 159043803
4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoic acid;3-(2,5-dioxopyrrol-1-yl)benzoic acid
CID 175053329
(2,5-dioxopyrrolidin-1-yl) 2-[4-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]phenyl]acetate
CID 146639752
(2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid
CID 159788892
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione
CID 159972941
(2,5-dioxopyrrolidin-1-yl) 3-[4-(2-oxobutyl)phenyl]propanoate
CID 160984020
(2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate
CID 176648871
2-[4-(2,7-dioxoazepan-1-yl)phenyl]ethanethioamide
CID 62305287
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-[3,5-bis[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]acetate
CID 134502036

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate (CID 13421299) is (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate is O=C(Cc1ccc(N2C(=O)C=CC2=O)cc1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate?
The InChIKey is RFBOLBORLAOARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O6/c19-12-5-6-13(20)17(12)11-3-1-10(2-4-11)9-16(23)24-18-14(21)7-8-15(18)22/h1-6H,7-9H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate has a molecular weight of 328.28 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate is sourced from PubChem (CID 13421299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).