1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione

C14H10N2O4 — CID 70995531

IUPAC1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C14H10N2O4/c17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20/h1-5,8H,6-7H2
InChIKeyUCHKKFYKBYMEHU-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.77
Rot. Bonds2

About 1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione

1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione (PubChem CID 70995531) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione
PubChem CID70995531
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C14H10N2O4/c17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20/h1-5,8H,6-7H2
InChIKeyUCHKKFYKBYMEHU-UHFFFAOYSA-N
XLogP0.77
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane
CID 160652387
1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
CID 70372825
1-(3-phenylphenyl)pyrrole-2,5-dione
CID 930984
1-[3-[3-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione
CID 90281887
1-[3-[3-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenyl]pyrrole-2,5-dione
CID 69052186
1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione
CID 22155630
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
1-(3-acetylphenyl)pyrrolidine-2,5-dione;ethane
CID 145439444
[3-(2,5-dioxopyrrol-1-yl)phenyl]-methyl-oxoazanium
CID 88882632
1-(3-fluorophenyl)piperidine-2,6-dione
CID 82077412
methane;1-phenylpyrrole-2,5-dione
CID 174935875
4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoic acid;3-(2,5-dioxopyrrol-1-yl)benzoic acid
CID 175053329

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione (CID 70995531) is 1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of 1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione?
The InChIKey is UCHKKFYKBYMEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20/h1-5,8H,6-7H2.
What are the key properties of 1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione?
1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione has a molecular weight of 270.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 70995531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).