bis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate

C17H14N2O10 — CID 59648921

IUPACbis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate
SMILESO=C(/C=C/C(=O)ON1C(=O)CCC1=O)CC(=O)/C=C/C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H14N2O10/c20-10(1-7-16(26)28-18-12(22)3-4-13(18)23)9-11(21)2-8-17(27)29-19-14(24)5-6-15(19)25/h1-2,7-8H,3-6,9H2/b7-1+,8-2+
InChIKeyFYGSAGWDVNDQNE-FACPPWRESA-N
MW406.30 g/mol
LogP-1.16
Rot. Bonds8

About bis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate

bis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate (PubChem CID 59648921) has the molecular formula C17H14N2O10 and a molecular weight of 406.30 g/mol. Its IUPAC name is bis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate.

Molecular Properties

Compound Namebis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate
PubChem CID59648921
Molecular FormulaC17H14N2O10
Molecular Weight406.30 g/mol
Exact Mass406.06
IUPAC Namebis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate
SMILESO=C(/C=C/C(=O)ON1C(=O)CCC1=O)CC(=O)/C=C/C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H14N2O10/c20-10(1-7-16(26)28-18-12(22)3-4-13(18)23)9-11(21)2-8-17(27)29-19-14(24)5-6-15(19)25/h1-2,7-8H,3-6,9H2/b7-1+,8-2+
InChIKeyFYGSAGWDVNDQNE-FACPPWRESA-N
XLogP-1.16
TPSA161.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze bis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate 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 bis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate?
The IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate (CID 59648921) is bis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate.
What is the SMILES notation for bis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate?
The canonical SMILES for bis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate is O=C(/C=C/C(=O)ON1C(=O)CCC1=O)CC(=O)/C=C/C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of bis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate?
The InChIKey is FYGSAGWDVNDQNE-FACPPWRESA-N. The full InChI is InChI=1S/C17H14N2O10/c20-10(1-7-16(26)28-18-12(22)3-4-13(18)23)9-11(21)2-8-17(27)29-19-14(24)5-6-15(19)25/h1-2,7-8H,3-6,9H2/b7-1+,8-2+.
What are the key properties of bis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate?
bis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate has a molecular weight of 406.30 g/mol, XLogP of -1.16, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate is sourced from PubChem (CID 59648921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).