1-[Pyrrol-1-Yl-2,5-Dione-Methoxymethyl]-Pyrrole-2,5-Dione

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as maleimides. These are compounds containing a 2,5-pyrroledione moiety.

Maleimides

Organic compounds

Organoheterocyclic compounds

Pyrrolidines

Pyrrolidones

Calculated Property

kind Value Source
logP -0.45 ALOGPS
logS -1.4 ALOGPS
Water Solubility 1.04e+01 g/l ALOGPS
logP -0.82 ChemAxon
IUPAC Name 1-{[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methoxy]methyl}-2,5-dihydro-1H-pyrrole-2,5-dione ChemAxon
Traditional IUPAC Name 1-{[(2,5-dioxopyrrol-1-yl)methoxy]methyl}pyrrole-2,5-dione ChemAxon
Molecular Weight 236.1809 ChemAxon
Monoisotopic Weight 236.043321376 ChemAxon
SMILES O=C1C=CC(=O)N1COCN1C(=O)C=CC1=O ChemAxon
Molecular Formula C10H8N2O5 ChemAxon
InChI InChI=1S/C10H8N2O5/c13-7-1-2-8(14)11(7)5-17-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2 ChemAxon
InChIKey InChIKey=UTRLJOWPWILGSB-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 83.99 ChemAxon
Refractivity 55.19 ChemAxon
Polarizability 21.1 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) -4.2 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Azurin : in Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)