1-[11-(2,5-dioxopyrrolidin-1-yl)-11-oxoundecyl]pyrrole-2,5-dione

C19H26N2O5 — CID 18976578

IUPAC1-[11-(2,5-dioxopyrrolidin-1-yl)-11-oxoundecyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCCCCCC(=O)N1C(=O)CCC1=O
InChIInChI=1S/C19H26N2O5/c22-15-10-11-16(23)20(15)14-8-6-4-2-1-3-5-7-9-17(24)21-18(25)12-13-19(21)26/h10-11H,1-9,12-14H2
InChIKeyJJOICIPYJJQJPW-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.10
Rot. Bonds11

About 1-[11-(2,5-dioxopyrrolidin-1-yl)-11-oxoundecyl]pyrrole-2,5-dione

1-[11-(2,5-dioxopyrrolidin-1-yl)-11-oxoundecyl]pyrrole-2,5-dione (PubChem CID 18976578) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[11-(2,5-dioxopyrrolidin-1-yl)-11-oxoundecyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[11-(2,5-dioxopyrrolidin-1-yl)-11-oxoundecyl]pyrrole-2,5-dione
PubChem CID18976578
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name1-[11-(2,5-dioxopyrrolidin-1-yl)-11-oxoundecyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCCCCCC(=O)N1C(=O)CCC1=O
InChIInChI=1S/C19H26N2O5/c22-15-10-11-16(23)20(15)14-8-6-4-2-1-3-5-7-9-17(24)21-18(25)12-13-19(21)26/h10-11H,1-9,12-14H2
InChIKeyJJOICIPYJJQJPW-UHFFFAOYSA-N
XLogP2.10
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.10
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-[11-(2,5-dioxopyrrolidin-1-yl)-11-oxoundecyl]pyrrole-2,5-dione?
The IUPAC name of 1-[11-(2,5-dioxopyrrolidin-1-yl)-11-oxoundecyl]pyrrole-2,5-dione (CID 18976578) is 1-[11-(2,5-dioxopyrrolidin-1-yl)-11-oxoundecyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[11-(2,5-dioxopyrrolidin-1-yl)-11-oxoundecyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[11-(2,5-dioxopyrrolidin-1-yl)-11-oxoundecyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCCCCCCCC(=O)N1C(=O)CCC1=O.
What is the InChIKey of 1-[11-(2,5-dioxopyrrolidin-1-yl)-11-oxoundecyl]pyrrole-2,5-dione?
The InChIKey is JJOICIPYJJQJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c22-15-10-11-16(23)20(15)14-8-6-4-2-1-3-5-7-9-17(24)21-18(25)12-13-19(21)26/h10-11H,1-9,12-14H2.
What are the key properties of 1-[11-(2,5-dioxopyrrolidin-1-yl)-11-oxoundecyl]pyrrole-2,5-dione?
1-[11-(2,5-dioxopyrrolidin-1-yl)-11-oxoundecyl]pyrrole-2,5-dione has a molecular weight of 362.43 g/mol, XLogP of 2.10, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[11-(2,5-dioxopyrrolidin-1-yl)-11-oxoundecyl]pyrrole-2,5-dione is sourced from PubChem (CID 18976578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).