3-tridecylidenepyrrolidine-2,5-dione

C17H29NO2 — CID 56992550

IUPAC3-tridecylidenepyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC=C1CC(=O)NC1=O
InChIInChI=1S/C17H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16(19)18-17(15)20/h13H,2-12,14H2,1H3,(H,18,19,20)
InChIKeyGFUXVHMMNYJCMJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.27
Rot. Bonds11

About 3-tridecylidenepyrrolidine-2,5-dione

3-tridecylidenepyrrolidine-2,5-dione (PubChem CID 56992550) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-tridecylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-tridecylidenepyrrolidine-2,5-dione
PubChem CID56992550
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-tridecylidenepyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC=C1CC(=O)NC1=O
InChIInChI=1S/C17H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16(19)18-17(15)20/h13H,2-12,14H2,1H3,(H,18,19,20)
InChIKeyGFUXVHMMNYJCMJ-UHFFFAOYSA-N
XLogP4.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tridecylidenepyrrolidine-2,5-dione?
The IUPAC name of 3-tridecylidenepyrrolidine-2,5-dione (CID 56992550) is 3-tridecylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 3-tridecylidenepyrrolidine-2,5-dione?
The canonical SMILES for 3-tridecylidenepyrrolidine-2,5-dione is CCCCCCCCCCCCC=C1CC(=O)NC1=O.
What is the InChIKey of 3-tridecylidenepyrrolidine-2,5-dione?
The InChIKey is GFUXVHMMNYJCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16(19)18-17(15)20/h13H,2-12,14H2,1H3,(H,18,19,20).
What are the key properties of 3-tridecylidenepyrrolidine-2,5-dione?
3-tridecylidenepyrrolidine-2,5-dione has a molecular weight of 279.42 g/mol, XLogP of 4.27, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tridecylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 56992550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).