(2,5-dioxopyrrolidin-1-yl) 8-(2,5-dioxopyrrol-1-yl)octanoate

C16H20N2O6 — CID 5091657

IUPAC(2,5-dioxopyrrolidin-1-yl) 8-(2,5-dioxopyrrol-1-yl)octanoate
SMILESO=C(CCCCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H20N2O6/c19-12-7-8-13(20)17(12)11-5-3-1-2-4-6-16(23)24-18-14(21)9-10-15(18)22/h7-8H,1-6,9-11H2
InChIKeyAXYCKCSVVUIIMW-UHFFFAOYSA-N
MW336.34 g/mol
LogP0.86
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 8-(2,5-dioxopyrrol-1-yl)octanoate

(2,5-dioxopyrrolidin-1-yl) 8-(2,5-dioxopyrrol-1-yl)octanoate (PubChem CID 5091657) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 8-(2,5-dioxopyrrol-1-yl)octanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 8-(2,5-dioxopyrrol-1-yl)octanoate
PubChem CID5091657
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 8-(2,5-dioxopyrrol-1-yl)octanoate
SMILESO=C(CCCCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H20N2O6/c19-12-7-8-13(20)17(12)11-5-3-1-2-4-6-16(23)24-18-14(21)9-10-15(18)22/h7-8H,1-6,9-11H2
InChIKeyAXYCKCSVVUIIMW-UHFFFAOYSA-N
XLogP0.86
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 8-(2,5-dioxopyrrol-1-yl)octanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 8-(2,5-dioxopyrrol-1-yl)octanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 8-(2,5-dioxopyrrol-1-yl)octanoate (CID 5091657) is (2,5-dioxopyrrolidin-1-yl) 8-(2,5-dioxopyrrol-1-yl)octanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 8-(2,5-dioxopyrrol-1-yl)octanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 8-(2,5-dioxopyrrol-1-yl)octanoate is O=C(CCCCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 8-(2,5-dioxopyrrol-1-yl)octanoate?
The InChIKey is AXYCKCSVVUIIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6/c19-12-7-8-13(20)17(12)11-5-3-1-2-4-6-16(23)24-18-14(21)9-10-15(18)22/h7-8H,1-6,9-11H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 8-(2,5-dioxopyrrol-1-yl)octanoate?
(2,5-dioxopyrrolidin-1-yl) 8-(2,5-dioxopyrrol-1-yl)octanoate has a molecular weight of 336.34 g/mol, XLogP of 0.86, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 8-(2,5-dioxopyrrol-1-yl)octanoate is sourced from PubChem (CID 5091657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).