1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]pyrrole-2,5-dione

C14H18N2O6 — CID 69296093

IUPAC1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCC(O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H18N2O6/c17-10-5-6-11(18)15(10)9-3-1-2-4-14(21)22-16-12(19)7-8-13(16)20/h5-6,14,21H,1-4,7-9H2
InChIKeySUXGOTLGGSNYPZ-UHFFFAOYSA-N
MW310.31 g/mol
LogP-0.13
Rot. Bonds8

About 1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]pyrrole-2,5-dione

1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]pyrrole-2,5-dione (PubChem CID 69296093) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]pyrrole-2,5-dione
PubChem CID69296093
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Name1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCC(O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H18N2O6/c17-10-5-6-11(18)15(10)9-3-1-2-4-14(21)22-16-12(19)7-8-13(16)20/h5-6,14,21H,1-4,7-9H2
InChIKeySUXGOTLGGSNYPZ-UHFFFAOYSA-N
XLogP-0.13
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[6-(2,5-Dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione
CID 66738103
1-[8-(2,5-Dioxopyrrolidin-1-yl)oxyoctyl]pyrrole-2,5-dione
CID 66852147
6-(2,5-Dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 67280080
N-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]prop-2-enamide
CID 70303606
(2-Hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 91488977
(2,5-dioxopyrrolidin-1-yl) 6-[(2S)-2-hydroxy-5-oxo-2H-pyrrol-1-yl]hexanoate
CID 118475763
(2,5-dioxopyrrolidin-1-yl) 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate
CID 130469267
1-[[4-[(2,5-Dioxopyrrolidin-1-yl)oxy-hydroxymethyl]cyclohexyl]methyl]pyrrole-2,5-dione
CID 156569359
1-[3-Hydroxy-3-(2-hydroxy-5-oxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione
CID 163420515
(2,5-Dihydroxypyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 169746973
Sodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione;hydride
CID 174478250

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]pyrrole-2,5-dione (CID 69296093) is 1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCCC(O)ON1C(=O)CCC1=O.
What is the InChIKey of 1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]pyrrole-2,5-dione?
The InChIKey is SUXGOTLGGSNYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6/c17-10-5-6-11(18)15(10)9-3-1-2-4-14(21)22-16-12(19)7-8-13(16)20/h5-6,14,21H,1-4,7-9H2.
What are the key properties of 1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]pyrrole-2,5-dione?
1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]pyrrole-2,5-dione has a molecular weight of 310.31 g/mol, XLogP of -0.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]pyrrole-2,5-dione is sourced from PubChem (CID 69296093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).