1-[2-[2-(2,5-dioxocyclopentyl)ethylamino]ethyl]pyrrolidine-2,5-dione

C13H18N2O4 — CID 59819379

IUPAC1-[2-[2-(2,5-dioxocyclopentyl)ethylamino]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)C1CCNCCN1C(=O)CCC1=O
InChIInChI=1S/C13H18N2O4/c16-10-1-2-11(17)9(10)5-6-14-7-8-15-12(18)3-4-13(15)19/h9,14H,1-8H2
InChIKeyFKPIDDYBHGLOJT-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.34
Rot. Bonds6

About 1-[2-[2-(2,5-dioxocyclopentyl)ethylamino]ethyl]pyrrolidine-2,5-dione

1-[2-[2-(2,5-dioxocyclopentyl)ethylamino]ethyl]pyrrolidine-2,5-dione (PubChem CID 59819379) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[2-[2-(2,5-dioxocyclopentyl)ethylamino]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-(2,5-dioxocyclopentyl)ethylamino]ethyl]pyrrolidine-2,5-dione
PubChem CID59819379
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-[2-[2-(2,5-dioxocyclopentyl)ethylamino]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)C1CCNCCN1C(=O)CCC1=O
InChIInChI=1S/C13H18N2O4/c16-10-1-2-11(17)9(10)5-6-14-7-8-15-12(18)3-4-13(15)19/h9,14H,1-8H2
InChIKeyFKPIDDYBHGLOJT-UHFFFAOYSA-N
XLogP-0.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,5-dioxocyclopentyl)ethylamino]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2-(2,5-dioxocyclopentyl)ethylamino]ethyl]pyrrolidine-2,5-dione (CID 59819379) is 1-[2-[2-(2,5-dioxocyclopentyl)ethylamino]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[2-(2,5-dioxocyclopentyl)ethylamino]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2-(2,5-dioxocyclopentyl)ethylamino]ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)C1CCNCCN1C(=O)CCC1=O.
What is the InChIKey of 1-[2-[2-(2,5-dioxocyclopentyl)ethylamino]ethyl]pyrrolidine-2,5-dione?
The InChIKey is FKPIDDYBHGLOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-10-1-2-11(17)9(10)5-6-14-7-8-15-12(18)3-4-13(15)19/h9,14H,1-8H2.
What are the key properties of 1-[2-[2-(2,5-dioxocyclopentyl)ethylamino]ethyl]pyrrolidine-2,5-dione?
1-[2-[2-(2,5-dioxocyclopentyl)ethylamino]ethyl]pyrrolidine-2,5-dione has a molecular weight of 266.30 g/mol, XLogP of -0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,5-dioxocyclopentyl)ethylamino]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 59819379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).