1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione

C10H16N2O3 — CID 80713003

IUPAC1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NC2CCOC2)C1=O
InChIInChI=1S/C10H16N2O3/c1-2-12-9(13)5-8(10(12)14)11-7-3-4-15-6-7/h7-8,11H,2-6H2,1H3
InChIKeyXSLUZOWCEZOIJZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.49
Rot. Bonds3

About 1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione

1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione (PubChem CID 80713003) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione
PubChem CID80713003
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NC2CCOC2)C1=O
InChIInChI=1S/C10H16N2O3/c1-2-12-9(13)5-8(10(12)14)11-7-3-4-15-6-7/h7-8,11H,2-6H2,1H3
InChIKeyXSLUZOWCEZOIJZ-UHFFFAOYSA-N
XLogP-0.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[(3-methylcyclopentyl)amino]pyrrolidine-2,5-dione
CID 114545469
1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione
CID 64656132
1-ethyl-3-(methylamino)pyrrolidine-2,5-dione
CID 43636114
1-ethyl-3-(3-tricyclo[3.2.1.02,4]octanylamino)pyrrolidine-2,5-dione
CID 114095808
3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione
CID 54917477
3-(cyclooctylamino)-1-propylpyrrolidine-2,5-dione
CID 43636456
1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one
CID 80716475
1-ethyl-3-(oxan-2-ylmethylamino)pyrrolidine-2,5-dione
CID 55014287
3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione
CID 61168805
3-(oxan-4-ylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 63726836
1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione
CID 114118967
1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione
CID 106188044

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione (CID 80713003) is 1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione is CCN1C(=O)CC(NC2CCOC2)C1=O.
What is the InChIKey of 1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione?
The InChIKey is XSLUZOWCEZOIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-12-9(13)5-8(10(12)14)11-7-3-4-15-6-7/h7-8,11H,2-6H2,1H3.
What are the key properties of 1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione?
1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione has a molecular weight of 212.25 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 80713003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).