1-[1-(2,5-dioxopyrrolidin-1-yl)octyl]pyrrolidine-2,5-dione

C16H24N2O4 — CID 22101701

IUPAC1-[1-(2,5-dioxopyrrolidin-1-yl)octyl]pyrrolidine-2,5-dione
SMILESCCCCCCCC(N1C(=O)CCC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C16H24N2O4/c1-2-3-4-5-6-7-12(17-13(19)8-9-14(17)20)18-15(21)10-11-16(18)22/h12H,2-11H2,1H3
InChIKeyNDRBRVRVSDCHBG-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.97
Rot. Bonds8

About 1-[1-(2,5-dioxopyrrolidin-1-yl)octyl]pyrrolidine-2,5-dione

1-[1-(2,5-dioxopyrrolidin-1-yl)octyl]pyrrolidine-2,5-dione (PubChem CID 22101701) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[1-(2,5-dioxopyrrolidin-1-yl)octyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(2,5-dioxopyrrolidin-1-yl)octyl]pyrrolidine-2,5-dione
PubChem CID22101701
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name1-[1-(2,5-dioxopyrrolidin-1-yl)octyl]pyrrolidine-2,5-dione
SMILESCCCCCCCC(N1C(=O)CCC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C16H24N2O4/c1-2-3-4-5-6-7-12(17-13(19)8-9-14(17)20)18-15(21)10-11-16(18)22/h12H,2-11H2,1H3
InChIKeyNDRBRVRVSDCHBG-UHFFFAOYSA-N
XLogP1.97
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[1-(2,5-dioxopyrrolidin-1-yl)octyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(2,5-dioxopyrrolidin-1-yl)octyl]pyrrolidine-2,5-dione (CID 22101701) is 1-[1-(2,5-dioxopyrrolidin-1-yl)octyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(2,5-dioxopyrrolidin-1-yl)octyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(2,5-dioxopyrrolidin-1-yl)octyl]pyrrolidine-2,5-dione is CCCCCCCC(N1C(=O)CCC1=O)N1C(=O)CCC1=O.
What is the InChIKey of 1-[1-(2,5-dioxopyrrolidin-1-yl)octyl]pyrrolidine-2,5-dione?
The InChIKey is NDRBRVRVSDCHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-2-3-4-5-6-7-12(17-13(19)8-9-14(17)20)18-15(21)10-11-16(18)22/h12H,2-11H2,1H3.
What are the key properties of 1-[1-(2,5-dioxopyrrolidin-1-yl)octyl]pyrrolidine-2,5-dione?
1-[1-(2,5-dioxopyrrolidin-1-yl)octyl]pyrrolidine-2,5-dione has a molecular weight of 308.38 g/mol, XLogP of 1.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dioxopyrrolidin-1-yl)octyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 22101701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).