1-[8-(2,5-dioxopyrrolidin-1-yl)oxyoctyl]pyrrole-2,5-dione

C16H22N2O5 — CID 66852147

IUPAC1-[8-(2,5-dioxopyrrolidin-1-yl)oxyoctyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCCCON1C(=O)CCC1=O
InChIInChI=1S/C16H22N2O5/c19-13-7-8-14(20)17(13)11-5-3-1-2-4-6-12-23-18-15(21)9-10-16(18)22/h7-8H,1-6,9-12H2
InChIKeyIXSDFYZEIGNRDQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.33
Rot. Bonds10

About 1-[8-(2,5-dioxopyrrolidin-1-yl)oxyoctyl]pyrrole-2,5-dione

1-[8-(2,5-dioxopyrrolidin-1-yl)oxyoctyl]pyrrole-2,5-dione (PubChem CID 66852147) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[8-(2,5-dioxopyrrolidin-1-yl)oxyoctyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[8-(2,5-dioxopyrrolidin-1-yl)oxyoctyl]pyrrole-2,5-dione
PubChem CID66852147
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name1-[8-(2,5-dioxopyrrolidin-1-yl)oxyoctyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCCCON1C(=O)CCC1=O
InChIInChI=1S/C16H22N2O5/c19-13-7-8-14(20)17(13)11-5-3-1-2-4-6-12-23-18-15(21)9-10-16(18)22/h7-8H,1-6,9-12H2
InChIKeyIXSDFYZEIGNRDQ-UHFFFAOYSA-N
XLogP1.33
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(2,5-dioxopyrrolidin-1-yl)oxyoctyl]pyrrole-2,5-dione?
The IUPAC name of 1-[8-(2,5-dioxopyrrolidin-1-yl)oxyoctyl]pyrrole-2,5-dione (CID 66852147) is 1-[8-(2,5-dioxopyrrolidin-1-yl)oxyoctyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[8-(2,5-dioxopyrrolidin-1-yl)oxyoctyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[8-(2,5-dioxopyrrolidin-1-yl)oxyoctyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCCCCCON1C(=O)CCC1=O.
What is the InChIKey of 1-[8-(2,5-dioxopyrrolidin-1-yl)oxyoctyl]pyrrole-2,5-dione?
The InChIKey is IXSDFYZEIGNRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c19-13-7-8-14(20)17(13)11-5-3-1-2-4-6-12-23-18-15(21)9-10-16(18)22/h7-8H,1-6,9-12H2.
What are the key properties of 1-[8-(2,5-dioxopyrrolidin-1-yl)oxyoctyl]pyrrole-2,5-dione?
1-[8-(2,5-dioxopyrrolidin-1-yl)oxyoctyl]pyrrole-2,5-dione has a molecular weight of 322.36 g/mol, XLogP of 1.33, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2,5-dioxopyrrolidin-1-yl)oxyoctyl]pyrrole-2,5-dione is sourced from PubChem (CID 66852147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).