1-[3-(diethylamino)propyl]pyrrolidine-2,5-dione

C11H20N2O2 — CID 559520

IUPAC1-[3-(diethylamino)propyl]pyrrolidine-2,5-dione
SMILESCCN(CC)CCCN1C(=O)CCC1=O
InChIInChI=1S/C11H20N2O2/c1-3-12(4-2)8-5-9-13-10(14)6-7-11(13)15/h3-9H2,1-2H3
InChIKeyPOGHXPVJYDSDSP-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.87
Rot. Bonds6

About 1-[3-(diethylamino)propyl]pyrrolidine-2,5-dione

1-[3-(diethylamino)propyl]pyrrolidine-2,5-dione (PubChem CID 559520) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]pyrrolidine-2,5-dione
PubChem CID559520
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[3-(diethylamino)propyl]pyrrolidine-2,5-dione
SMILESCCN(CC)CCCN1C(=O)CCC1=O
InChIInChI=1S/C11H20N2O2/c1-3-12(4-2)8-5-9-13-10(14)6-7-11(13)15/h3-9H2,1-2H3
InChIKeyPOGHXPVJYDSDSP-UHFFFAOYSA-N
XLogP0.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(diethylamino)propyl]pyrrolidine-2,5-dione (CID 559520) is 1-[3-(diethylamino)propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(diethylamino)propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(diethylamino)propyl]pyrrolidine-2,5-dione is CCN(CC)CCCN1C(=O)CCC1=O.
What is the InChIKey of 1-[3-(diethylamino)propyl]pyrrolidine-2,5-dione?
The InChIKey is POGHXPVJYDSDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-12(4-2)8-5-9-13-10(14)6-7-11(13)15/h3-9H2,1-2H3.
What are the key properties of 1-[3-(diethylamino)propyl]pyrrolidine-2,5-dione?
1-[3-(diethylamino)propyl]pyrrolidine-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 559520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).