3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione

C13H22N2O3 — CID 43636786

IUPAC3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NC(C)C2CCCO2)C1=O
InChIInChI=1S/C13H22N2O3/c1-3-6-15-12(16)8-10(13(15)17)14-9(2)11-5-4-7-18-11/h9-11,14H,3-8H2,1-2H3
InChIKeyNGKHXICJQYRGJI-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.68
Rot. Bonds5

About 3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione

3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione (PubChem CID 43636786) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
PubChem CID43636786
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NC(C)C2CCCO2)C1=O
InChIInChI=1S/C13H22N2O3/c1-3-6-15-12(16)8-10(13(15)17)14-9(2)11-5-4-7-18-11/h9-11,14H,3-8H2,1-2H3
InChIKeyNGKHXICJQYRGJI-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione (CID 43636786) is 3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(NC(C)C2CCCO2)C1=O.
What is the InChIKey of 3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione?
The InChIKey is NGKHXICJQYRGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-6-15-12(16)8-10(13(15)17)14-9(2)11-5-4-7-18-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione?
3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 43636786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).